SCHEMBL5532734

SCHEMBL5532734

COc1ccccc1-c1cc[n+]([O-])c2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.38
TACR1 P25103 8/20 0.37
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
ADRB2 P07550 1/20 0.34
FPR1 P21462 1/20 0.34
GPR183 P32249 1/20 0.34
APLNR P35414 1/20 0.34
GLP1R P43220 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
GPR35 Q9HC97 1/20 0.34
HTR7 P34969 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
GRM2 Q14416 1/20 0.33
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL6094502 0.89 TACR1 (0.40) TACR1ROCK2ROCK1ADRB2FPR1
SCHEMBL6092449 0.88 GPBAR1 (0.45) TACR1ROCK2ROCK1ADRB2FPR1
SCHEMBL6095968 0.87 SIRT2 (0.36) CETPTACR1ROCK2ROCK1ADRB2
SCHEMBL5526089 0.86 TACR1 (0.46) TACR1ROCK2ROCK1ADRB2FPR1
SCHEMBL5534523 0.84 TACR1 (0.39) TACR1ROCK2ROCK1ADRB2FPR1
SCHEMBL5532435 0.82 GPBAR1 (0.47) CETPTACR1ROCK2ROCK1ADRB2
SCHEMBL6096402 0.81 TACR1 (0.38) TACR1ROCK2ROCK1ADRB2FPR1
SCHEMBL5530937 0.79 CETP (0.39) CETPTACR1ROCK2ROCK1ADRB2
SCHEMBL6794324 0.76 TACR1 (0.41) TACR1ROCK2ROCK1ADRB2FPR1
SCHEMBL13891702 0.75 KDM4E (0.41) CETPTACR1ROCK2ROCK1ADRB2

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 CETP 4667/4885TACR1 4/4885ROCK2 3615/4885

“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.