SCHEMBL5945404

SCHEMBL5945404

O=C(O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2cc(F)ccc12

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 17/20 0.62
TACR2 P21452 5/20 0.62
TACR3 P29371 5/20 0.62
OPRM1 P35372 2/20 0.61
KCNH2 Q12809 1/20 0.56
CACNA1C Q13936 1/20 0.56
SCN5A Q14524 1/20 0.56

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
SCHEMBL5945435 0.94 TRPV4 (0.59) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5443753 0.91 TRPV4 (0.64) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5945353 0.90 TRPV4 (0.63) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL2373330 0.89 TRPV4 (0.72) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5945416 0.89 TRPV4 (0.62) TRPV4TACR2TACR3OPRM1KCNH2
Hydrochloric Acid SCHEMBL5733490 0.88 TRPV4 (0.71) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5945421 0.88 TRPV4 (0.67) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL5945437 0.86 TRPV4 (0.65) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5945447 0.86 TACR2 (0.85) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5945446 0.85 TRPV4 (0.56) TRPV4TACR2TACR3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060161004-A1 Novel compounds GLAXOSMITHKLINE SPA 2006-07-20 US disclosed
US-20050070574-A1 Novel compounds GLAXOSMITHKLINE SPA AND LABORATOIRE 2005-03-31 US disclosed
US-20040102633-A1 Novel compounds GLAXOSMITHKLINE S.P.A. (IT) 2004-05-27 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 (3 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-20050070574-A1 Novel compounds NR1H3, NR1H2, CNR1 TRPV4 1565/4885TACR2 52/4885TACR3 301/4885
US-20060161004-A1 Novel compounds SLC10A1, ABCB11, AQP1 TRPV4 1307/4885TACR2 862/4885TACR3 2824/4885
US-20040102633-A1 Novel compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, NR1H3 TRPV4 2393/4885TACR2 155/4885TACR3 1027/4885

“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.