SCHEMBL756856

SCHEMBL756856

CN(C[C@@H](CCN1CCN([C@@H](c2cc3ccccc3s2)[C@H](O)CO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.62
TACR1 P25103 6/20 0.62
TACR3 P29371 5/20 0.62

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
SCHEMBL758094 0.92 TACR2 (0.63) TACR2TACR1TACR3
SCHEMBL755410 0.91 TACR2 (0.63) TACR2TACR1TACR3
SCHEMBL755080 0.90 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL756998 0.89 TACR2 (0.63) TACR2TACR1TACR3
SCHEMBL756543 0.89 TACR2 (0.63) TACR2TACR1TACR3
SCHEMBL755411 0.88 TACR2 (0.63) TACR2TACR1TACR3
SCHEMBL756139 0.87 TACR2 (0.63) TACR2TACR1TACR3
SCHEMBL755870 0.87 TACR2 (0.63) TACR2TACR1TACR3
SCHEMBL756104 0.86 TACR2 (0.61) TACR2TACR1TACR3
SCHEMBL755437 0.86 TACR2 (0.61) TACR2TACR1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118093-B1 [1,2,3]TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK CANADA INC (CA) 2012-03-21 EP claimed
EP-1954678-B1 NOVEL NK1 AND NK2 ANTAGONISTS ABBOTT PRODUCTS GMBH (DE) 2012-03-21 EP claimed
US-7592344-B2 NK1 and NK2-antagonists and compositions and methods of using the same SOLVAY PHARMACEUTICALS GMBH (DE) 2009-09-22 US claimed
US-20070149537-A1 NK1 and NK2-antagonists and compositions and methods of using the same SOLVAY PHARMACEUTICALS GMBH (DE) 2007-06-28 US claimed
EP-1954678-B1 NOVEL NK1 AND NK2 ANTAGONISTS ABBOTT PRODUCTS GMBH (DE) 2012-03-21 EP disclosed
US-7592344-B2 NK1 and NK2-antagonists and compositions and methods of using the same SOLVAY PHARMACEUTICALS GMBH (DE) 2009-09-22 US disclosed
US-20070149537-A1 NK1 and NK2-antagonists and compositions and methods of using the same SOLVAY PHARMACEUTICALS GMBH (DE) 2007-06-28 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-20070149537-A1 NK1 and NK2-antagonists and compositions and methods of using the same HRH2, PROKR2, BDKRB2 TACR2 7/4885TACR1 9/4885TACR3 113/4885

“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.