SCHEMBL5101693

SCHEMBL5101693

COC(=O)c1ccc(CC2CCc3ccc(OC)cc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.60
NQO2 P16083 14/20 0.58
MTNR1B P49286 14/20 0.58

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
SCHEMBL2667002 0.93 MTNR1A (0.59) MTNR1ANQO2MTNR1B
SCHEMBL5095627 0.87 ESR1 (0.69) MTNR1ANQO2MTNR1B
SCHEMBL2667112 0.85 MTNR1A (0.48) MTNR1ANQO2MTNR1B
SCHEMBL2877992 0.83 CYP26A1 (0.76)
SCHEMBL2875252 0.79 MTNR1A (0.43) MTNR1ANQO2MTNR1B
SCHEMBL21743513 0.79 HDAC1 (0.55) MTNR1ANQO2MTNR1B
SCHEMBL2873439 0.78 SLC6A9 (0.47)
SCHEMBL11403440 0.77 MTNR1A (0.68) MTNR1ANQO2MTNR1B
SCHEMBL12394485 0.76 MTNR1A (0.70) MTNR1ANQO2MTNR1B
SCHEMBL13938781 0.76 MTNR1A (0.66) MTNR1ANQO2MTNR1B

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 2 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-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 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-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use GPR119, PNLIP, SLC5A2 MTNR1A 424/4885NQO2 603/4885MTNR1B 142/4885

“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.