SCHEMBL2918005

SCHEMBL2918005

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
HSD17B3 P37058 7/20 0.44
PTPN1 P18031 1/20 0.44
GSK3B P49841 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HTR7 P34969 1/20 0.43
MMP1 P03956 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL2240591 0.89 NPC1 (0.54) HDAC1HDAC8NPC1RAB9AHSD17B3
SCHEMBL2916728 0.88 NPC1 (0.45) HDAC1HDAC8NPC1RAB9AHSD17B3
SCHEMBL2925517 0.88 NPC1 (0.45) HDAC1HDAC8NPC1RAB9AHSD17B3
SCHEMBL5509133 0.86 HDAC1 (0.62) HDAC1HDAC8NPC1RAB9APTPN1
SCHEMBL3673275 0.85 NPC1 (0.42) HDAC1HDAC8NPC1RAB9AHSD17B3
SCHEMBL13525526 0.85 NPC1 (0.42) HDAC1HDAC8NPC1RAB9AHSD17B3
SCHEMBL2763202 0.85 NPC1 (0.42) HDAC1HDAC8NPC1RAB9AHSD17B3
SCHEMBL1502488 0.85 NPC1 (0.42) HDAC1HDAC8NPC1RAB9AHSD17B3
SCHEMBL10471481 0.84 NPC1 (0.53) HDAC1HDAC8NPC1RAB9AHSD17B3
SCHEMBL3671755 0.83 MAPT (0.47) HDAC1HDAC8NPC1RAB9AHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247699-B1 PROCESS FOR THE PRODUCTION OF 2-[4-(CYCLOPROPANECARBONYL)PHENYL]-2-METHYL-PROPANENITRILE SANOFI AVENTIS DEUTSCHLAND (DE) 2019-05-15 EP disclosed
US-20170369440-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(CYCLOPROPANECARBONYL)PHENYL]-2-METHYL-PROPANENITRILE EUROAPI GERMANY GMBH (DE) 2017-12-28 US disclosed
WO-2016116555-A1 Process for the production of 2-[4-(cyclopropanecarbonyl)phenyl]-2-methyl-propanenitrile SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2016-07-28 WO disclosed
US-8269033-B2 Process for carbonylating phenylalkyl derivatives by means of carbon monoxide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-09-18 US 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-2261208-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
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
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 (9 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 HDAC1 3300/4885HDAC8 4845/4885NPC1 811/4885
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 HDAC1 295/4885HDAC8 1206/4885NPC1 2412/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 HDAC1 1552/4885HDAC8 2705/4885NPC1 2390/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 HDAC1 1142/4885HDAC8 2582/4885NPC1 1689/4885
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH4, HRH3 HDAC1 1222/4885HDAC8 2684/4885NPC1 1692/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 HDAC1 959/4885HDAC8 2216/4885NPC1 2104/4885
US-20100069661-A1 PROCESS FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE CBR3, CBR1, CYP2E1 HDAC1 3300/4885HDAC8 4845/4885NPC1 811/4885
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 HDAC1 1164/4885HDAC8 2636/4885NPC1 1740/4885
US-20170369440-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(CYCLOPROPANECARBONYL)PHENYL]-2-METHYL-PROPANENITRILE CYP4B1, CYP3A4, CYP4F2 HDAC1 4256/4885HDAC8 4529/4885NPC1 3720/4885

“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.