SCHEMBL4232880

SCHEMBL4232880

COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 1.00
KCNH2 Q12809 12/20 1.00
CYP3A4 P08684 1/20 0.63
TACR2 P21452 2/20 0.62
OPRM1 P35372 1/20 0.62

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
SCHEMBL4234409 0.91 TACR3 (0.84) TACR3KCNH2CYP3A4TACR2
SCHEMBL4237366 0.90 TACR3 (1.00) TACR3KCNH2CYP3A4TACR2
SCHEMBL4239466 0.90 TACR3 (0.86) TACR3KCNH2CYP3A4TACR2
SCHEMBL4237097 0.90 TACR3 (1.00) TACR3KCNH2CYP3A4TACR2
SCHEMBL4239201 0.89 TACR3 (0.83) TACR3KCNH2CYP3A4TACR2
SCHEMBL4243559 0.89 TACR3 (0.80) TACR3KCNH2CYP3A4TACR2
SCHEMBL4237701 0.89 TACR3 (0.84) TACR3KCNH2CYP3A4TACR2
SCHEMBL4234347 0.89 TACR3 (1.00) TACR3KCNH2CYP3A4TACR2
SCHEMBL4234685 0.89 TACR3 (0.84) TACR3KCNH2CYP3A4TACR2
SCHEMBL4241684 0.89 TACR3 (0.84) TACR3KCNH2CYP3A4TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US claimed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
EP-1888530-A2 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2008-02-20 EP disclosed
WO-2006120478-A2 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists TACR2, TACR3, NPY2R TACR3 2/4885KCNH2 41/4885CYP3A4 1101/4885

“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.