SCHEMBL4668164

SCHEMBL4668164

CC(NC(=O)c1c(CC#N)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.60
TACR2 P21452 8/20 0.60
TRPV4 Q9HBA0 2/20 0.58
OPRM1 P35372 3/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TACR1 P25103 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL4990828 1.00 TACR3 (0.60) TACR3TACR2TRPV4OPRM1CYP1A2
SCHEMBL4988606 0.87 TACR3 (0.80) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL4668092 0.87 TACR3 (0.80) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL4999506 0.87 TACR3 (0.57) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL4665598 0.87 TACR3 (0.50) TACR3TACR2TRPV4OPRM1
SCHEMBL4665600 0.86 TACR3 (0.65) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL14090898 0.85 TACR3 (0.59) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL4666997 0.85 TACR3 (0.59) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL1581160 0.83 TACR3 (0.77) TACR3TACR2TRPV4OPRM1CYP1A2
SCHEMBL1581336 0.83 TACR3 (0.77) TACR3TACR2TRPV4OPRM1

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-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists ASTRAZENECA AB (SE) 2008-08-21 US claimed
EP-1891012-A2 QUINOLINE DERIVATIVES AS NK3 ANATGONISTS AstraZeneca AB (SE) 2008-02-27 EP claimed
WO-2006130080-A2 QUINOLINE DERIVATIVES AS NK3 ANATGONISTS ASTRAZENECA AB (SE) 2006-12-07 WO claimed
US-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists ASTRAZENECA AB (SE) 2008-08-21 US disclosed
EP-1891012-A2 QUINOLINE DERIVATIVES AS NK3 ANATGONISTS AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006130080-A2 QUINOLINE DERIVATIVES AS NK3 ANATGONISTS ASTRAZENECA AB (SE) 2006-12-07 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-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists KCNQ3, KCNA3, KCNK3 TACR3 17/4885TACR2 22/4885TRPV4 1614/4885

“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.