SCHEMBL5533230

SCHEMBL5533230

CC(=O)N1CCN(c2cc(-c3ccccc3C)c3c(n2)OCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.44
MET P08581 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
USP2 O75604 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.37
TNIK Q9UKE5 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5530970 0.97 TACR1 (0.44) TACR1METGPBAR1ROCK2ROCK1
SCHEMBL5527526 0.95 TACR1 (0.43) TACR1METGPBAR1USP2CYP1A2
SCHEMBL5534458 0.93 TACR1 (0.43) TACR1METGPBAR1USP2CYP1A2
SCHEMBL5526922 0.86 MET (0.48) TACR1METROCK2ROCK1USP2
SCHEMBL5534321 0.86 NPC1 (0.38) TACR1METUSP2CYP1A2CYP2C19
SCHEMBL6093227 0.85 TACR1 (0.40) TACR1ROCK2ROCK1TNIKCYP3A4
SCHEMBL5531994 0.84 MET (0.46) TACR1METROCK2ROCK1USP2
SCHEMBL6093026 0.84 TACR1 (0.41) TACR1ROCK2ROCK1CYP2C19TNIK
SCHEMBL5534340 0.83 GPBAR1 (0.47) TACR1GPBAR1CYP1A2CYP2C19CYP3A4
SCHEMBL6093692 0.83 TACR1 (0.39) TACR1CYP3A4

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 TACR1 4/4885MET 1249/4885GPBAR1 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.