SCHEMBL5534340

SCHEMBL5534340

Cc1ccccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.47
TACR1 P25103 16/20 0.41
TACR3 P29371 1/20 0.38
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP1 P29466 1/20 0.35
CASP5 P51878 1/20 0.35

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
SCHEMBL5527526 0.88 TACR1 (0.43) GPBAR1TACR1CYP1A2CYP2C19
SCHEMBL5528780 0.87 TACR1 (0.38) GPBAR1TACR1TACR3CYP2D6MEN1
SCHEMBL6095509 0.86 TACR1 (0.41) GPBAR1TACR1CYP3A4
SCHEMBL5534458 0.86 TACR1 (0.43) GPBAR1TACR1CYP1A2CYP2C19CASP1
SCHEMBL6095621 0.86 TACR1 (0.39) TACR1CYP3A4CASP1CASP5
SCHEMBL6093917 0.84 TACR1 (0.40) TACR1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL6093692 0.83 TACR1 (0.39) TACR1CYP3A4
SCHEMBL6094847 0.83 TACR1 (0.36) GPBAR1TACR1CYP2D6CYP3A4
SCHEMBL5530963 0.83 TACR1 (0.41) GPBAR1TACR1
SCHEMBL5533230 0.83 TACR1 (0.44) GPBAR1TACR1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489083-B1 FUSED BICYCLIC PYRIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST KYORIN SEIYAKU KK (JP) 2007-06-06 EP disclosed
US-7026309-B2 Fused bicyclic pyridine derivative as tachykinin receptor antagonist KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-04-11 US disclosed
US-20050101591-A1 Fused bicyclic pyridine derivative as tachykinin receptor antagonist KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1489083-A1 FUSED BICYCLIC PYRIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Kyorin Pharmaceutical Co., Ltd. (JP) 2004-12-22 EP 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-20050101591-A1 Fused bicyclic pyridine derivative as tachykinin receptor antagonist BDKRB1, BDKRB2, NPY1R GPBAR1 179/4885TACR1 4/4885TACR3 37/4885

“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.