SCHEMBL2925517

SCHEMBL2925517

CC(C)(Cl)c1ccc(C(=O)CCCCl)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.44
HSD17B3 P37058 7/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
HTR7 P34969 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE4B Q07343 1/20 0.39

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
SCHEMBL2918005 0.88 HDAC1 (0.46) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL2240591 0.88 NPC1 (0.54) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL2916728 0.86 NPC1 (0.45) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL3673275 0.83 NPC1 (0.42) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL13525526 0.83 NPC1 (0.42) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL2763202 0.83 NPC1 (0.42) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL1502488 0.83 NPC1 (0.42) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL10471481 0.83 NPC1 (0.53) NPC1RAB9AHSD17B3L3MBTL1HDAC1
SCHEMBL3671755 0.82 MAPT (0.47) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL11873561 0.81 NPC1 (0.51) NPC1RAB9AHSD17B3L3MBTL1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269033-B2 Process for carbonylating phenylalkyl derivatives by means of carbon monoxide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-09-18 US 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-2261207-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-1776330-B1 METHOD FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE SANOFI AVENTIS DEUTSCHLAND (DE) 2010-09-01 EP disclosed
US-20100069661-A1 PROCESS FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-03-18 US disclosed
EP-1953142-A1 Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives Aventis Inc. (US) 2008-08-06 EP disclosed
US-20070161814-A1 PROCESS FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-12 US disclosed
EP-1776330-A2 METHOD FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE Sanofi-Aventis Deutschland GmbH (DE) 2007-04-25 EP disclosed
WO-2006002762-A2 METHOD FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 WO disclosed
US-6777555-B2 3-(OPTIONALLY HYDROXYL)-4-(CYCLOPROPYLCARBONYL)-CUMENE INTERMEDIATE MERRELL PHARMACEUTICALS, INC. 2004-08-17 US disclosed
US-6348597-B2 INTERMEDIATE P-CYCLOPROPANOYL CUMENE COMPOUNDS AND DERIVATIVES, OPTIONALLY HAVING A 3-HYDROXY GROUP; 1-(BENZOYLALKYL)-4-(DIPHENYLMETHOXY)-PIPERIDINE COMPOUNDS AND 1-(A-HYDROXYBENZYLALKYL)-4-(DIPHENYLALKENYL)-PIPERIDINES MERRELL PHARMACEUTICALS, INC. 2002-02-19 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-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
US-6147216-A Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2000-11-14 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 (8 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-20070161814-A1 PROCESS FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE CBR3, CBR1, CYP2E1 NPC1 811/4885RAB9A 2736/4885HSD17B3 1283/4885
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 2412/4885RAB9A 2426/4885HSD17B3 832/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 2390/4885RAB9A 1845/4885HSD17B3 1092/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 1689/4885RAB9A 2472/4885HSD17B3 549/4885
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH4, HRH3 NPC1 1692/4885RAB9A 2505/4885HSD17B3 568/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 2104/4885RAB9A 2272/4885HSD17B3 685/4885
US-20100069661-A1 PROCESS FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE CBR3, CBR1, CYP2E1 NPC1 811/4885RAB9A 2736/4885HSD17B3 1283/4885
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 NPC1 1740/4885RAB9A 2425/4885HSD17B3 534/4885

“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.