SCHEMBL2667112

SCHEMBL2667112

COC(=O)c1ccc(CC2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.48
MTNR1B P49286 12/20 0.48
NQO2 P16083 11/20 0.48
DRD2 P14416 1/20 0.45
HTR1D P28221 1/20 0.45
DRD3 P35462 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CYP26A1 O43174 1/20 0.42
CYP24A1 Q07973 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
SCHEMBL5101693 0.85 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL5095627 0.80 ESR1 (0.69) MTNR1AMTNR1BNQO2TRPV1ESR1
SCHEMBL2667002 0.79 MTNR1A (0.59) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL2877992 0.74 CYP26A1 (0.76) CYP26A1CYP24A1
SCHEMBL1928327 0.73 STS (0.65)
SCHEMBL2387203 0.73 MEN1 (0.37)
SCHEMBL2387207 0.73 MEN1 (0.37)
SCHEMBL3101298 0.73 SLC6A9 (0.50) DRD2HTR1DDRD3TRPV1
SCHEMBL2875252 0.72 MTNR1A (0.43) MTNR1AMTNR1BNQO2TRPV1ESR1
SCHEMBL3316267 0.70 STS (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 US disclosed
WO-2006102067-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES MERCK & CO., INC. (US) 2006-09-28 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 (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-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use GPR119, PNLIP, SLC5A2 MTNR1A 424/4885MTNR1B 142/4885NQO2 603/4885

“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.