SCHEMBL3875596

SCHEMBL3875596

CCC(=O)NN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.39
ATAD2 Q6PL18 2/20 0.39
ATM Q13315 2/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR6 P51684 1/20 0.38
MCL1 Q07820 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4591725 0.98 HTT (0.47) HTTGNAI3GNAO1GNAI1L3MBTL1
SCHEMBL14255477 0.82 CA12 (0.55) HTTALDH1A1LMNAMAPK1
SCHEMBL3879759 0.82 GNAI3 (0.50) HTTGNAI3GNAO1GNAI1L3MBTL1
SCHEMBL20111517 0.80 GNAI3 (0.62) HTTGNAI3GNAO1GNAI1ATM
SCHEMBL5743453 0.80 CYP2D6 (0.44) HTTGNAI3GNAO1GNAI1L3MBTL1
SCHEMBL8054253 0.80 CYP2D6 (0.46) HTTALDH1A1SMN1; SMN2
SCHEMBL2364252 0.80 TP53 (0.50) HTTGNAI3GNAO1GNAI1L3MBTL1
SCHEMBL493880 0.80 TP53 (0.50) HTTGNAI3GNAO1GNAI1L3MBTL1
SCHEMBL915516 0.79 L3MBTL1 (0.40) HTTGNAI3GNAO1GNAI1L3MBTL1
Benzenemethanethiol SCHEMBL7374376 0.79 HTT (0.46) HTTPOLBMAPTALDH1A1KDM4E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109923114-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2019-06-21 CN claimed
EP-0794827-B1 NEW BUFFER SYSTEM FOR ELECTROPHORESIS AND USE THEREOF AMERSHAM BIOSCIENCES AB (SE) 2002-07-10 EP claimed
US-6090252-A NO ARTIFICIAL EXTRA BANDS DURING ELECTROPHORETIC SEPARATION BUT SHARP AND WELL-DEFINED BANDS OF MACROMOLECULES, E.G. PROTEINS, RESULT; GEL BUFFER SOLUTION CONTAINS A BASE AND TITRATING ACID, CATHODE ONE A WEAK ACID; STORAGE STABILITY PHARMACIA BIOTECH AB (SE) 2000-07-18 US claimed
US-8026368-B2 Hydrazide compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-27 US disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-08 US disclosed
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20060128690-A1 Amine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-15 US disclosed
EP-1593667-A1 AMINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP disclosed
EP-0794827-B1 NEW BUFFER SYSTEM FOR ELECTROPHORESIS AND USE THEREOF AMERSHAM BIOSCIENCES AB (SE) 2002-07-10 EP disclosed
US-6090252-A NO ARTIFICIAL EXTRA BANDS DURING ELECTROPHORETIC SEPARATION BUT SHARP AND WELL-DEFINED BANDS OF MACROMOLECULES, E.G. PROTEINS, RESULT; GEL BUFFER SOLUTION CONTAINS A BASE AND TITRATING ACID, CATHODE ONE A WEAK ACID; STORAGE STABILITY PHARMACIA BIOTECH AB (SE) 2000-07-18 US disclosed
EP-0794827-A1 NEW BUFFER SYSTEM FOR ELECTROPHORESIS AND USE THEREOF Pharmacia Biotech AB (SE) 1997-09-17 EP disclosed
WO-1996016724-A1 NEW BUFFER SYSTEM FOR ELECTROPHORESIS AND USE THEREOF PHARMACIA BIOTECH AB (SE) 1996-06-06 WO disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP 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 (4 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 HTT 582/4885GNAI3 1270/4885GNAO1 980/4885
US-20060128690-A1 Amine derivative MC1R, MC2R, MC4R HTT 1418/4885GNAI3 627/4885GNAO1 528/4885
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, THPO, PTAFR HTT 160/4885GNAI3 3256/4885GNAO1 1521/4885
US-20050209213-A1 Quinoline compound MC1R, MC2R, TYR HTT 545/4885GNAI3 895/4885GNAO1 272/4885

“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.