SCHEMBL497993

SCHEMBL497993

c1ccc2c([C]3CCCC3)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.43
GALR1 P47211 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP2A6 P11509 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.40
BRD4 O60885 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
KEAP1 Q14145 1/20 0.39
HPRT1 P00492 1/20 0.39
POLB P06746 1/20 0.38
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38

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
SCHEMBL28753798 0.98 NISCH (0.42) NISCHGALR1ALDH1A1CYP2A6TSHR
SCHEMBL1783499 0.98 NISCH (0.42) NISCHGALR1ALDH1A1CYP2A6TSHR
SCHEMBL4723266 0.95 NISCH (0.43) NISCHGALR1ALDH1A1CYP2A6TSHR
SCHEMBL497769 0.91 ALDH1A1 (0.46) NISCHGALR1ALDH1A1CYP2A6TSHR
SCHEMBL9044714 0.81 NISCH (0.47) NISCHALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL4722083 0.81 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10KDM4EGAA
SCHEMBL4721549 0.79 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10KDM4EGAA
SCHEMBL29186323 0.77 NISCH (0.43) NISCHGALR1ALDH1A1CYP2A6TSHR
SCHEMBL25302086 0.77 ALDH1A1 (0.59) NISCHALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL29350007 0.77 ALDH1A1 (0.59) NISCHALDH1A1CYP2A6TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654225-A4 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AMGEN INC (US) 2007-11-28 EP claimed
EP-1654225-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS Amgen, Inc. (US) 2006-05-10 EP claimed
US-20050256161-A1 Melanin concentrating hormone receptor antagonists AMGEN INC. 2005-11-17 US claimed
WO-2005019240-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AMGEN, INC. (US) 2005-03-03 WO claimed
CN-115101700-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2022-09-23 CN disclosed
CN-114665049-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2022-06-24 CN disclosed
CN-114573536-A Star triarylamine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-06-03 CN disclosed
EP-2796562-A1 METHOD FOR PRODUCING OPTICALLY-ACTIVE -SUBSTITUTED- -AMINO ACID Sumitomo Chemical Co., Ltd (JP) 2014-10-29 EP disclosed
CN-103998421-A Racemization method of alpha-substituted-beta-amino acid ester SUMITOMO CHEMICAL CO 2014-08-20 CN disclosed
CN-103998618-A Process for producing optically active alpha-substituted beta-amino acid SUMITOMO CHEMICAL CO 2014-08-20 CN disclosed
US-20130177963-A1 ASYMMETRIC HYDROLASE AND GENE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed
EP-2607480-A1 Asymmetric hydrolase and gene thereof Sumitomo Chemical Company, Limited (JP) 2013-06-26 EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
EP-1654225-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS Amgen, Inc. (US) 2006-05-10 EP disclosed
US-20050256161-A1 Melanin concentrating hormone receptor antagonists AMGEN INC. 2005-11-17 US disclosed
CN-1644640-A Compositions and methods for controlled polishing of copper CMP ROHM AND HAAS ELECTRONIC M (US) 2005-07-27 CN disclosed
US-20050136670-A1 Compositions and methods for controlled polishing of copper ROHM AND HAAS ELECTRONIC MATERIALS CMP HOLDINGS, INC. 2005-06-23 US disclosed
WO-2005019240-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AMGEN, INC. (US) 2005-03-03 WO disclosed
US-20040067436-A1 Polymerizable silicon-containing compound, manufacturing method, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-04-08 US disclosed
US-6649768-B1 Converting, in dimethyl sulfoxide, 3-haloacetylpyridine to glyoxal compound, reacting with ammonia and aldehyde to produce 3-(4-imidazolyl)pyridine compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-11-18 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 (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-20050256161-A1 Melanin concentrating hormone receptor antagonists MCHR1, MC1R, NPY1R NISCH 1322/4885GALR1 28/4885ALDH1A1 1836/4885

“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.