SCHEMBL5203685

SCHEMBL5203685

O=C(O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2cc3c(cc12)OCCO3

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 6/20 0.57
TACR3 P29371 6/20 0.57
TRPV4 Q9HBA0 16/20 0.56
OPRM1 P35372 2/20 0.55
KCNH2 Q12809 1/20 0.49
CACNA1C Q13936 1/20 0.49
SCN5A Q14524 1/20 0.49

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
SCHEMBL6394399 0.95 TACR2 (0.57) TACR2TACR3TRPV4OPRM1KCNH2
Hydrochloric Acid SCHEMBL6399854 0.94 TACR2 (0.57) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL5202474 0.86 TACR3 (0.59) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL2373330 0.86 TRPV4 (0.72) TACR2TACR3TRPV4OPRM1KCNH2
Hydrochloric Acid SCHEMBL5733490 0.85 TRPV4 (0.71) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL5945435 0.84 TRPV4 (0.59) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL5945353 0.84 TRPV4 (0.63) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL6393346 0.84 TRPV4 (0.58) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL5945404 0.84 TRPV4 (0.62) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL5945416 0.84 TRPV4 (0.62) TACR2TACR3TRPV4OPRM1KCNH2

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
EP-1377555-B1 A DIOXINO[2,3-G]QUINOLINE-9-CARBOXYLIC ACID DERIVATIVE AS NK3 RECEPTOR ANTAGONIST GLAXOSMITHKLINE SPA (IT) 2007-01-24 EP claimed
EP-1377555-B1 A DIOXINO[2,3-G]QUINOLINE-9-CARBOXYLIC ACID DERIVATIVE AS NK3 RECEPTOR ANTAGONIST GLAXOSMITHKLINE SPA (IT) 2007-01-24 EP disclosed
US-20050182093-A1 Novel compounds GLAXOSMITHKLINE S.P.A. 2005-08-18 US disclosed
US-20040152730-A1 Novel compounds SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-05 US disclosed
EP-1377555-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002083645-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 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 (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-20050182093-A1 Novel compounds SLC10A1, AVPR2, REN TACR2 1103/4885TACR3 3323/4885TRPV4 1507/4885
US-20040152730-A1 Novel compounds SLC10A1, AVPR2, REN TACR2 1103/4885TACR3 3323/4885TRPV4 1507/4885

“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.