SCHEMBL4235129

SCHEMBL4235129

COC(=O)N(NC(=O)c1c(CN(CCC#N)Cc2cccnc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.57
KCNH2 Q12809 12/20 0.57
CYP3A4 P08684 1/20 0.54

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
SCHEMBL4237498 0.85 TACR3 (0.63) TACR3KCNH2CYP3A4
SCHEMBL4237463 0.80 TACR3 (0.59) TACR3KCNH2CYP3A4
SCHEMBL4234402 0.80 TACR3 (0.63) TACR3KCNH2CYP3A4
SCHEMBL4238876 0.79 TACR3 (0.71) TACR3KCNH2CYP3A4
SCHEMBL4237438 0.78 TACR3 (0.65) TACR3KCNH2CYP3A4
SCHEMBL4229570 0.77 TACR3 (0.68) TACR3KCNH2CYP3A4
SCHEMBL4230459 0.77 TACR3 (0.75) TACR3KCNH2CYP3A4
SCHEMBL13931063 0.76 TACR3 (0.77) TACR3KCNH2CYP3A4
SCHEMBL4232961 0.75 TACR3 (0.75) TACR3KCNH2CYP3A4
SCHEMBL4234262 0.75 TACR3 (0.69) TACR3KCNH2CYP3A4

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-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

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.