SCHEMBL5530970

SCHEMBL5530970

CC(=O)N1CCCN(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 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.44
MET P08581 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
TNIK Q9UKE5 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
USP2 O75604 2/20 0.36
CASP1 P29466 1/20 0.36
CASP5 P51878 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 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
SCHEMBL5533230 0.97 TACR1 (0.44) TACR1METROCK2ROCK1TNIK
SCHEMBL5534458 0.96 TACR1 (0.43) TACR1METGPBAR1USP2CASP1
SCHEMBL5527526 0.94 TACR1 (0.43) TACR1METGPBAR1USP2CYP1A2
SCHEMBL5531994 0.87 MET (0.46) TACR1METROCK2ROCK1TNIK
SCHEMBL5526922 0.85 MET (0.48) TACR1METROCK2ROCK1TNIK
SCHEMBL5534321 0.85 NPC1 (0.38) TACR1METUSP2CYP1A2CYP2C19
SCHEMBL13891620 0.84 TACR1 (0.43) TACR1METUSP2CASP1CASP5
SCHEMBL5532515 0.84 MET (0.39) TACR1METROCK2ROCK1TNIK
SCHEMBL6093227 0.84 TACR1 (0.40) TACR1ROCK2ROCK1TNIKCASP1
SCHEMBL5534340 0.82 GPBAR1 (0.47) TACR1GPBAR1CASP1CASP5CYP1A2

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 1249/4885ROCK2 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.