SCHEMBL5908758

SCHEMBL5908758

C[C@H](NC(=O)c1c(CN2CCN(CC(C(=O)O)c3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.79
TACR3 P29371 16/20 0.79
OPRM1 P35372 9/20 0.79
TRPV4 Q9HBA0 4/20 0.63

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
SCHEMBL5908791 0.92 TACR2 (0.74) TACR2TACR3OPRM1TRPV4
SCHEMBL28773316 0.89 TACR2 (0.85) TACR2TACR3OPRM1TRPV4
SCHEMBL6851688 0.88 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL5908853 0.88 TACR2 (0.75) TACR2TACR3OPRM1TRPV4
SCHEMBL5468807 0.87 TACR2 (0.82) TACR2TACR3OPRM1TRPV4
SCHEMBL5468818 0.87 TACR2 (0.82) TACR2TACR3OPRM1TRPV4
SCHEMBL5908966 0.87 TACR2 (0.81) TACR2TACR3OPRM1TRPV4
SCHEMBL5437389 0.87 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL5467567 0.87 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL27724854 0.86 TACR2 (1.00) TACR2TACR3OPRM1TRPV4

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-20060223819-A1 Quinoline Derivatives as NK-3 Antagonists GlaxoSmithKline S.P.A. & Laboratoire 2006-10-05 US disclosed
US-20040097518-A1 Quinoline derivatives as nk-3 antagonists GLAXOSMITHKLINE S.P.A. (IT) 2004-05-20 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-20060223819-A1 Quinoline Derivatives as NK-3 Antagonists KCNK3, KCNQ3, KCNN3 TACR2 83/4885TACR3 50/4885OPRM1 1266/4885
US-20040097518-A1 Quinoline derivatives as nk-3 antagonists KCNK3, KCNQ3, KCNN3 TACR2 83/4885TACR3 53/4885OPRM1 1277/4885

“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.