Sugi Predict

Sugi Predict / Compounds / SCHEMBL728684

SCHEMBL728684

SCHEMBL728684

Cc1ccccc1C(=O)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HSD11B1 P28845 1/20 0.50
▸ MGLL Q99685 1/20 0.50
▸ HTT P42858 1/20 0.46
▸ HPGD P15428 2/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ERCC5 P28715 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ ITGB1 P05556 1/20 0.42
▸ ITGA5 P08648 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23579159 0.92 NPC1 (0.56) NPC1RAB9AALDH1A1HSD11B1MGLL
SCHEMBL5729067 0.90 NPC1 (0.58) NPC1RAB9AALDH1A1HSD11B1MGLL
SCHEMBL4671427 0.87 HSD11B1 (0.45) NPC1RAB9AALDH1A1HSD11B1MGLL
SCHEMBL4671430 0.87 HTR3E (0.55) NPC1RAB9AALDH1A1HSD11B1MGLL
Hydrochloric Acid SCHEMBL15566797 0.86 MEN1 (0.57) NPC1RAB9AALDH1A1HSD11B1MGLL
SCHEMBL2996406 0.86 AKR1C3 (0.49) NPC1RAB9AALDH1A1HSD11B1MGLL
SCHEMBL2996403 0.86 AKR1C3 (0.49) NPC1RAB9AALDH1A1HSD11B1MGLL
Bromide SCHEMBL10968188 0.86 HTR3E (0.54) NPC1RAB9AALDH1A1HSD11B1MGLL
SCHEMBL2996404 0.86 AKR1C3 (0.49) NPC1RAB9AALDH1A1HSD11B1MGLL
SCHEMBL16285312 0.86 ALDH1A1 (0.54) ALDH1A1HSD11B1MGLLHTTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1168717-C Novel intermediates for the preparation of antihistaminic piperidine derivatives Ĭ���ҩ�﹫˾ 2004-09-29 — — CN claimed
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS, INC. 2003-11-27 — — US claimed
US-6548675-B2 1-Cyclopropylcarbonyl-2-hydroxy(optional),4-isopropylbenzene used as starting materials for 1-((2-hydroxy(optional),4-alkylphenyl)carbonylalkyl-),4-(diphenylmethyl -)piperidine derivatives; antihistamines; antiallergens; bronchodilators MERRELL PHARMACEUTICALS INC. 2003-04-15 — — US claimed
US-20020198407-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2002-12-26 — — US claimed
EP-1260504-A1 Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2002-11-27 — — EP claimed
US-20020077482-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2002-06-20 — — US claimed
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2002-01-17 — — US claimed
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2001-10-18 — — US claimed
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-13 — — US claimed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 — — US claimed
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-08-30 — — US claimed
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 — — US claimed
JP-H08512028-A — — 1996-12-17 — — JP claimed
CN-1128987-A Novel intermediates for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMA (US) 1996-08-14 — — CN claimed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 — — EP claimed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 — — WO claimed
US-20150065743-A1 METHODS FOR PRODUCING BORYLATED ARENES BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2015-03-05 — — US disclosed
EP-2289867-A2 A process for producing 4-(4-halo-1-oxybutyl)-alpha,alpha-dimethylbenzene acetic acid or alkyl esters thereof Jubilant Organosys Limited (IN) 2011-03-02 — — EP disclosed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 — — WO disclosed
US-4137324-A Optionally substituted phenyl-α-cyclopropyl acetic acid esters and use as insecticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1979-01-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 2412/4885RAB9A 2426/4885ALDH1A1 402/4885
US-20020198407-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 1937/4885RAB9A 2355/4885ALDH1A1 377/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 2390/4885RAB9A 1845/4885ALDH1A1 385/4885
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 2412/4885RAB9A 2426/4885ALDH1A1 402/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 1689/4885RAB9A 2472/4885ALDH1A1 365/4885
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH4, HRH3 NPC1 1692/4885RAB9A 2505/4885ALDH1A1 356/4885
US-20020077482-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 2113/4885RAB9A 2263/4885ALDH1A1 307/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 2104/4885RAB9A 2272/4885ALDH1A1 292/4885
US-20150065743-A1 METHODS FOR PRODUCING BORYLATED ARENES BOLA2; BOLA2B, EMD, BRI3BP NPC1 1899/4885RAB9A 1913/4885ALDH1A1 1352/4885
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 1740/4885RAB9A 2425/4885ALDH1A1 329/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.