SCHEMBL95059

SCHEMBL95059

O=CC1NCCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.53
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GID4 Q8IVV7 1/20 0.47
SLC22A1 O15245 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL1799182 1.00 PRCP (0.53) PRCPGAATSHRNPSR1GID4
SCHEMBL28967711 0.89 PRCP (0.42) PRCPGAATSHRNPSR1GID4
SCHEMBL4354734 0.81 PRCP (0.56) PRCPGAATSHRNPSR1GID4
SCHEMBL28762516 0.81 PRCP (0.58) PRCPGAATSHRNPSR1GID4
SCHEMBL27808728 0.81 PRCP (0.53) PRCPGAATSHRNPSR1GID4
SCHEMBL23285173 0.81 PRCP (0.53) PRCPGAATSHRNPSR1GID4
SCHEMBL28252983 0.81 PRCP (0.53) PRCPGAATSHRNPSR1GID4
SCHEMBL3087062 0.81 CYP2D6 (0.38) PRCPTSHRMAPTKDM4EALDH1A1
SCHEMBL30435099 0.81 CYP2D6 (0.38) PRCPTSHRMAPTKDM4EALDH1A1
SCHEMBL13281275 0.79 PRCP (0.50) PRCPGAATSHRNPSR1GID4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108534-A Probes for Imaging Huntingtin CHDI基金会股份有限公司 2017-08-29 CN claimed
CN-103703009-B Noval chemical compound as diacylglycerol acyltransferase inhibitors 葛兰素史密斯克莱知识产权(第2 号)有限公司 2016-08-17 CN claimed
CN-103732596-A Novel pyrrolopyrimidine derivatives NOVARTIS AG 2014-04-16 CN claimed
CN-102227409-B Pyridine-3-carboxyamide derivative KOWA CO 2014-03-26 CN claimed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US claimed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP claimed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP claimed
CN-101668747-B Tetrahydroisoquinolin-1-one derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-02-01 CN claimed
CN-101341129-B Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2011-12-14 CN claimed
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN claimed
CN-101010299-A Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-08-01 CN claimed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP claimed
CN-1268636-C Dolastatin 15 derivatives ABSF AG (DE) 2006-08-09 CN claimed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO claimed
US-20040138215-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
US-6617426-B1 Peptide analogs of given formula; useful in treating neurodegenerative, autoimmune, cognitive disorders, stroke and traumatic injury MERCK SHARP & DOHME CORP. 2003-09-09 US claimed
CN-1264388-A Dolastatin 15 derivatives ABSF AG (DE) 2000-08-23 CN claimed
US-5430041-A Amino acid derivatives having antiviral activity HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US claimed
EP-0401676-B1 Enzyme inhibitors BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-01-11 EP claimed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20040138215-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 PRCP 87/4885GAA 228/4885TSHR 2998/4885

“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.