SCHEMBL12532018

SCHEMBL12532018

COc1cc(N2CCn3cc(-c4ccc(Cl)cc4)cc3C2=O)ccc1OCCN

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.47
KCNH2 Q12809 1/20 0.47
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 1/20 0.43
MDM2 Q00987 1/20 0.40

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
Hydrochloric Acid SCHEMBL1928535 0.99 MCHR1 (0.47) MCHR1KCNH2HTR2AHTR2CHTR2B
SCHEMBL1930223 0.89 MCHR1 (0.51) MCHR1KCNH2HTR2AHTR2CHTR2B
SCHEMBL14458780 0.89 MCHR1 (0.48) MCHR1KCNH2HTR2AHTR2CHTR2B
SCHEMBL12531954 0.88 MCHR1 (0.62) MCHR1KCNH2HTR2AHTR2CHTR2B
SCHEMBL12532001 0.87 MCHR1 (0.57) MCHR1KCNH2HTR2AHTR2CHTR2B
SCHEMBL12532022 0.87 MCHR1 (0.49) MCHR1KCNH2HTR2AHTR2CHTR2B
SCHEMBL1928022 0.87 MCHR1 (0.49) MCHR1KCNH2HTR2AHTR2C
SCHEMBL1929234 0.87 MCHR1 (0.59) MCHR1
SCHEMBL4904568 0.86 MCHR1 (0.46) MCHR1KCNH2HTR2AHTR2CHTR2B
SCHEMBL12531994 0.84 HTR2C (0.65) MCHR1KCNH2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956049-B2 Melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-07 US disclosed
US-7956049-B2 Melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-07 US disclosed
US-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-09-03 US disclosed
US-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-09-03 US disclosed
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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 (2 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-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885KCNH2 3122/4885HTR2A 66/4885
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885KCNH2 3122/4885HTR2A 66/4885

“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.