SCHEMBL5532435

SCHEMBL5532435

COc1ccccc1-c1ccnc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.47
ADRB2 P07550 1/20 0.47
FPR1 P21462 1/20 0.47
GPR183 P32249 1/20 0.47
APLNR P35414 1/20 0.47
GLP1R P43220 1/20 0.47
GPR35 Q9HC97 1/20 0.47
TACR1 P25103 9/20 0.43
CETP P11597 1/20 0.40
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
UGCG Q16739 1/20 0.36
KDR P35968 1/20 0.35
SIK2 Q9H0K1 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
RAF1 P04049 1/20 0.34

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
SCHEMBL5531984 0.89 ADRB2 (0.49) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL6093341 0.88 GPBAR1 (0.61) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL6093277 0.87 GPBAR1 (0.49) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL5530937 0.86 CETP (0.39) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL5534158 0.86 GPBAR1 (0.49) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL5527548 0.83 ADRB2 (0.46) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL5530614 0.83 ADRB2 (0.50) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL5532734 0.82 CETP (0.38) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL5534321 0.81 NPC1 (0.38) TACR1CETPITGB1ITGA4ITGB7
SCHEMBL13891702 0.80 KDM4E (0.41) GPBAR1ADRB2FPR1GPR183APLNR

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 5 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
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 179/4885ADRB2 150/4885FPR1 82/4885

“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.