SCHEMBL5530937

SCHEMBL5530937

COc1ccccc1-c1cc(Cl)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.39
TACR1 P25103 7/20 0.38
ADRB2 P07550 1/20 0.37
FPR1 P21462 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
GLP1R P43220 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
GPR35 Q9HC97 1/20 0.37
PDE5A O76074 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
AGER Q15109 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL5530963 0.89 TACR1 (0.41) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL6092470 0.89 TACR1 (0.39) CETPTACR1ADRB2FPR1GPR183
SCHEMBL6093949 0.88 GPBAR1 (0.48) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL5532435 0.86 GPBAR1 (0.47) CETPTACR1ADRB2FPR1GPR183
SCHEMBL5530949 0.86 TACR1 (0.44) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL5534321 0.84 NPC1 (0.38) CETPTACR1MAPTLMNATSHR
SCHEMBL5532643 0.84 ROCK2 (0.41) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL5532454 0.84 TACR1 (0.41) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL6095228 0.83 TACR1 (0.41) CETPTACR1KDM4EMAPTL3MBTL1
SCHEMBL6093840 0.83 TACR1 (0.41) TACR1ADRB2FPR1GPR183APLNR

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 4/4885ADRB2 150/4885

“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.