SCHEMBL3676848

SCHEMBL3676848

O=C(CCCCl)c1ccc(CBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B3 P37058 4/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GSK3B P49841 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HTR7 P34969 1/20 0.41
DPP4 P27487 1/20 0.40

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
SCHEMBL4819030 0.89 CES2 (0.50) CES2CES1NPC1RAB9ATHRA
SCHEMBL14397985 0.83 NPC1 (0.48) NPC1RAB9ATHRATHRBL3MBTL1
SCHEMBL27590407 0.81 HDAC3 (0.47) NPC1RAB9ATHRATHRBL3MBTL1
SCHEMBL3689140 0.81 ALDH1A1 (0.52) NPC1RAB9ATHRATHRBL3MBTL1
SCHEMBL4489863 0.81 THRA (0.56) NPC1RAB9ATHRATHRBL3MBTL1
SCHEMBL1502426 0.81 HDAC1 (0.61) CES2CES1NPC1RAB9AL3MBTL1
SCHEMBL3672575 0.80 CA2 (0.47) NPC1RAB9AL3MBTL1TDP1LMNA
SCHEMBL31366289 0.79 HSD17B3 (0.67) THRATHRBHSD17B3HTR7
SCHEMBL3679229 0.79 CA2 (0.48) NPC1RAB9AL3MBTL1
SCHEMBL7758945 0.79 HSD17B3 (0.67) THRATHRBHSD17B3HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261208-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-2261207-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
US-6777555-B2 3-(OPTIONALLY HYDROXYL)-4-(CYCLOPROPYLCARBONYL)-CUMENE INTERMEDIATE MERRELL PHARMACEUTICALS, INC. 2004-08-17 US disclosed
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS, INC. 2003-11-27 US disclosed
US-6566526-B2 Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2003-05-20 US disclosed
US-6559312-B2 Cyclopropyl phenyl ketone compound MERRELL PHARMACEUTICALS INC. 2003-05-06 US disclosed
US-6555689-B2 Antiallergy agents and bronchodilators MERRELL PHARMACEUTICALS INC. 2003-04-29 US disclosed
US-6552200-B2 Antiallergens MERRELL PHARMACEUTICALS INC. 2003-04-22 US disclosed
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 disclosed
US-6340761-B1 AMINATION AND DEHYDROHALOGENATION WITH PIPERIDINE COMPOUNDS MERRELL PHARMACEUTICALS INC. 2002-01-22 US disclosed
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2002-01-17 US disclosed
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2001-10-18 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-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 US disclosed
US-6147216-A Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2000-11-14 US 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 (7 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 CES2 1120/4885CES1 497/4885NPC1 2412/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CES2 1758/4885CES1 512/4885NPC1 2390/4885
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CES2 1120/4885CES1 497/4885NPC1 2412/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CES2 1027/4885CES1 437/4885NPC1 1689/4885
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH4, HRH3 CES2 900/4885CES1 388/4885NPC1 1692/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CES2 1053/4885CES1 425/4885NPC1 2104/4885
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CES2 934/4885CES1 417/4885NPC1 1740/4885

“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.