SCHEMBL5532643

SCHEMBL5532643

Cc1ccccc1-c1cc(Cl)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.39
ADRB2 P07550 1/20 0.39
FPR1 P21462 1/20 0.39
GPR183 P32249 1/20 0.39
APLNR P35414 1/20 0.39
GLP1R P43220 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TACR1 P25103 14/20 0.39
TNIK Q9UKE5 2/20 0.38

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
SCHEMBL5530963 0.95 TACR1 (0.41) ROCK2ROCK1GPBAR1ADRB2FPR1
SCHEMBL6092470 0.85 TACR1 (0.39) ROCK2ROCK1GPBAR1ADRB2FPR1
SCHEMBL5530614 0.85 ADRB2 (0.50) ROCK2ROCK1GPBAR1ADRB2FPR1
SCHEMBL6093949 0.85 GPBAR1 (0.48) ROCK2ROCK1GPBAR1ADRB2FPR1
SCHEMBL5530937 0.84 CETP (0.39) ROCK2ROCK1GPBAR1ADRB2FPR1
SCHEMBL5533230 0.83 TACR1 (0.44) ROCK2ROCK1GPBAR1TACR1TNIK
SCHEMBL5530949 0.83 TACR1 (0.44) ROCK2ROCK1GPBAR1ADRB2FPR1
SCHEMBL14513446 0.82 TACR1 (0.41) ROCK2ROCK1GPBAR1ADRB2FPR1
SCHEMBL6093227 0.81 TACR1 (0.40) ROCK2ROCK1TACR1TNIK
SCHEMBL13891616 0.81 SDHB (0.40) ROCK2ROCK1GPBAR1ADRB2FPR1

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 ROCK2 3615/4885ROCK1 1877/4885GPBAR1 179/4885

“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.