SCHEMBL5945397

SCHEMBL5945397

O=C(NC1CCCCC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 9/20 0.77
TACR2 P21452 8/20 0.77
OPRM1 P35372 5/20 0.77
TRPV4 Q9HBA0 12/20 0.72
KCNH2 Q12809 1/20 0.61

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
SCHEMBL5732536 0.92 TACR2 (0.71) TACR3TACR2OPRM1TRPV4KCNH2
SCHEMBL6507791 0.89 TACR3 (0.62) TACR3TACR2OPRM1TRPV4KCNH2
SCHEMBL2373330 0.87 TRPV4 (0.72) TACR3TACR2OPRM1TRPV4KCNH2
SCHEMBL5945344 0.87 TRPV4 (0.80) TACR3TACR2OPRM1TRPV4KCNH2
SCHEMBL7225413 0.87 TRPV4 (0.67) TACR3TACR2OPRM1TRPV4
Hydrochloric Acid SCHEMBL5733490 0.86 TRPV4 (0.71) TACR3TACR2OPRM1TRPV4KCNH2
SCHEMBL5203642 0.86 TRPV4 (0.73) TACR3TACR2OPRM1TRPV4KCNH2
SCHEMBL6428018 0.85 TRPV4 (0.70) TACR3TACR2OPRM1TRPV4KCNH2
SCHEMBL5734797 0.84 TACR2 (1.00) TACR3TACR2OPRM1TRPV4KCNH2
SCHEMBL2514030 0.84 TRPV4 (0.81) TACR3TACR2OPRM1TRPV4

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 TACR3 301/4885TACR2 52/4885OPRM1 40/4885
US-20060161004-A1 Novel compounds SLC10A1, ABCB11, AQP1 TACR3 2824/4885TACR2 862/4885OPRM1 2549/4885
US-20040102633-A1 Novel compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, NR1H3 TACR3 1027/4885TACR2 155/4885OPRM1 16/4885

“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.