SCHEMBL4899236

SCHEMBL4899236

O=C1c2cc(-c3ccc(Cl)cc3)cn2CCN1c1ccc(OCCN2CCCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.56
HTR2A P28223 3/20 0.56
HTR2B P41595 2/20 0.56
MCHR1 Q99705 14/20 0.48
KCNH2 Q12809 2/20 0.47

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
Trifluoroacetic Acid SCHEMBL1930804 0.93 HTR2C (0.49) HTR2CHTR2AHTR2BMCHR1KCNH2
SCHEMBL12531977 0.88 LTA4H (0.52) HTR2CHTR2AHTR2BMCHR1KCNH2
SCHEMBL12531999 0.86 HTR2C (0.51) HTR2CHTR2AHTR2BMCHR1KCNH2
SCHEMBL12531994 0.84 HTR2C (0.65) HTR2CHTR2AHTR2BMCHR1KCNH2
SCHEMBL12531954 0.84 MCHR1 (0.62) HTR2CHTR2AHTR2BMCHR1KCNH2
Trifluoroacetic Acid SCHEMBL1931017 0.80 HRH3 (0.45) HTR2CHTR2AHTR2BMCHR1KCNH2
Trifluoroacetic Acid SCHEMBL1929221 0.80 MCHR1 (0.46) HTR2CHTR2AHTR2BMCHR1KCNH2
SCHEMBL12532001 0.79 MCHR1 (0.57) HTR2CHTR2AHTR2BMCHR1KCNH2
SCHEMBL12531960 0.79 MCHR1 (0.61) HTR2CHTR2AHTR2BMCHR1KCNH2
Trifluoroacetic Acid SCHEMBL1931015 0.78 HTR2C (0.57) HTR2CHTR2AHTR2BMCHR1KCNH2

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 9 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
EP-1987039-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-11-05 EP disclosed
WO-2007092416-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
WO-2007092416-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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 HTR2C 87/4885HTR2A 66/4885HTR2B 69/4885
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R HTR2C 87/4885HTR2A 66/4885HTR2B 69/4885

“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.