SCHEMBL5455681

SCHEMBL5455681

C[C@H](NC(=O)c1c(CN2CCN(C(=O)C3CCCCC3C(=O)O)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 12/20 0.69
TACR3 P29371 11/20 0.69
TRPV4 Q9HBA0 9/20 0.69
OPRM1 P35372 7/20 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
SCHEMBL5461272 0.92 TACR2 (0.66) TACR2TACR3TRPV4OPRM1
SCHEMBL5459917 0.82 TACR2 (0.66) TACR2TACR3TRPV4OPRM1
SCHEMBL5459908 0.82 TACR2 (0.66) TACR2TACR3TRPV4OPRM1
SCHEMBL5908755 0.81 TACR2 (0.70) TACR2TACR3TRPV4OPRM1
SCHEMBL27745647 0.81 TACR2 (0.73) TACR2TACR3TRPV4OPRM1
SCHEMBL5462972 0.80 TACR2 (0.65) TACR2TACR3TRPV4OPRM1
SCHEMBL5470966 0.80 TACR2 (0.63) TACR2TACR3TRPV4OPRM1
SCHEMBL5463541 0.80 TACR2 (0.63) TACR2TACR3TRPV4OPRM1
SCHEMBL5909002 0.79 TRPV4 (0.65) TACR2TACR3TRPV4OPRM1
SCHEMBL5460353 0.79 TACR2 (0.63) TACR2TACR3TRPV4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists GlaxoSmithKline S.P.A. & Laboratoire 2007-01-18 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-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists KCNK3, KCNQ3, ACKR3 TACR2 16/4885TACR3 41/4885TRPV4 1746/4885

“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.