SCHEMBL5385461

SCHEMBL5385461

COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2N)ccc1OCCN1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.77
KDR P35968 5/20 0.56
ASF1A Q9Y294 1/20 0.53
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
HTR2C P28335 1/20 0.50
MET P08581 1/20 0.49

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
SCHEMBL14399534 0.88 MCHR1 (0.76) MCHR1KDRASF1ABCHEACHE
SCHEMBL14565960 0.88 MCHR1 (0.76) MCHR1KDRASF1ABCHEACHE
SCHEMBL5384360 0.88 MCHR1 (0.77) MCHR1KDRASF1ABCHEACHE
SCHEMBL5254707 0.86 MCHR1 (0.61) MCHR1KDRASF1ABCHEACHE
SCHEMBL5389988 0.86 MCHR1 (0.72) MCHR1KDRASF1ABCHEACHE
SCHEMBL5387705 0.82 MCHR1 (0.77) MCHR1KDRASF1ABCHEACHE
SCHEMBL6925669 0.82 MCHR1 (0.93) MCHR1KDRASF1AHTR2C
SCHEMBL6646105 0.82 MCHR1 (0.52) MCHR1HTR2C
SCHEMBL5396612 0.82 MCHR1 (0.59) MCHR1KDRASF1ABCHEACHE
SCHEMBL14399497 0.81 MCHR1 (0.65) MCHR1KDRASF1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 US disclosed
EP-1436267-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-14 EP disclosed
WO-2003033480-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 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 (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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 MCHR1 433/4885KDR 2240/4885ASF1A 4753/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS MCHR1 4695/4885KDR 4702/4885ASF1A 3469/4885

“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.