SCHEMBL3673373

SCHEMBL3673373

O=C(O)Cc1cccc(C(=O)C2CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ AGBL2 Q5U5Z8 1/20 0.45
▸ MGLL Q99685 2/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ HPSE Q9Y251 1/20 0.41

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
SCHEMBL31719066 0.81 HTR2A (0.44) HTR2AMGLLHTR2CHTR2BFOLH1
SCHEMBL14067799 0.80 NPSR1 (0.49) MGLLKMT2A
SCHEMBL2763119 0.79 KMT2A (0.56) AKR1B1HTR2AHTR2CHTR2BKMT2A
SCHEMBL7660547 0.79 ENPP2 (0.46) HTR2AMGLLHTR2CHTR2BFOLH1
SCHEMBL2707508 0.78 FOLH1 (0.66) AKR1B1FOLH1
SCHEMBL19202273 0.78 AKR1B1 (0.58) AKR1B1AGBL2FOLH1CYP1A2CYP2C19
SCHEMBL29382329 0.78 FOLH1 (0.66) AKR1B1FOLH1
SCHEMBL13715329 0.78 CYP2C19 (0.44) AKR1B1HTR2AMGLLHTR2CHTR2B
SCHEMBL31286068 0.77 KMO (0.51) MGLLCYP1A2KMT2A
SCHEMBL28625290 0.77 KMO (0.51) MGLLCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261207-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 — — EP disclosed
EP-2261208-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 — — EP disclosed
EP-1953142-A1 Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives Aventis Inc. (US) 2008-08-06 — — EP disclosed
CN-1275916-C Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMA INC (US) 2006-09-20 — — CN disclosed
CN-1603291-A Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMA INC (US) 2005-04-06 — — CN disclosed
EP-1492537-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-01-05 — — EP disclosed
CN-1168717-C Novel intermediates for the preparation of antihistaminic piperidine derivatives Ĭ���ҩ�﹫˾ 2004-09-29 — — CN disclosed
US-6777555-B2 3-(OPTIONALLY HYDROXYL)-4-(CYCLOPROPYLCARBONYL)-CUMENE INTERMEDIATE MERRELL PHARMACEUTICALS, INC. 2004-08-17 — — US disclosed
CN-1159277-C New intermediate for preparation of anti-histamine piperidine derivatives Ĭ���ҩ�﹫˾ 2004-07-28 — — CN disclosed
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS, INC. 2003-11-27 — — US disclosed
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-13 — — US disclosed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 — — US disclosed
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-08-30 — — US disclosed
US-6242606-B1 REACTING A A,A-DIMETHYLPHENYLACETIC ACID AMIDE WITH A W-HALO COMPOUND PRODUCES W'-HALO-A-KETO-A,A-DIMETHYLPHENYLACETIC ACID AMIDE AND REACTING IT WITH A PIPERIDINE COMPOUND; 2-(4-(4-CHLORO-BUTYRYL)-PHENYL)-2-METHY-PROPIONIC ACID MERRELL PHARMACEUTICALS INC. 2001-06-05 — — US disclosed
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 — — US disclosed
CN-1274711-A New intermediate for preparation of anti-histamine piperidine derivatives MERRELL DOW PHARMA (US) 2000-11-29 — — CN disclosed
US-6147216-A Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2000-11-14 — — US disclosed
CN-1128987-A Novel intermediates for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMA (US) 1996-08-14 — — CN disclosed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 — — 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

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

For each of this compound's patents that has machine-readable text (5 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 AKR1B1 563/4885HTR2A 287/4885AGBL2 3806/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 AKR1B1 458/4885HTR2A 250/4885AGBL2 3998/4885
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 AKR1B1 563/4885HTR2A 287/4885AGBL2 3806/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 AKR1B1 465/4885HTR2A 362/4885AGBL2 3538/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 AKR1B1 401/4885HTR2A 322/4885AGBL2 3619/4885

“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.

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