SCHEMBL5531994

SCHEMBL5531994

CC(=O)N1CCCN(c2cc(-c3ccccc3)c3c(n2)OCCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.46
TACR1 P25103 7/20 0.45
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 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 0.36
ITGB2 P05107 2/20 0.36
ICAM1 P05362 2/20 0.36
ITGAL P20701 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
TNIK Q9UKE5 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 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
SCHEMBL5526922 0.98 MET (0.48) METTACR1ROCK2ROCK1USP2
SCHEMBL5532515 0.93 MET (0.39) METTACR1ROCK2ROCK1USP2
SCHEMBL5534458 0.91 TACR1 (0.43) METTACR1USP2CASP1CASP5
SCHEMBL5539955 0.91 MET (0.40) METTACR1ROCK2ROCK1USP2
SCHEMBL5527526 0.89 TACR1 (0.43) METTACR1USP2CYP1A2CYP2C19
SCHEMBL5530970 0.87 TACR1 (0.44) METTACR1ROCK2ROCK1USP2
SCHEMBL5534321 0.87 NPC1 (0.38) METTACR1USP2CYP1A2CYP2C19
SCHEMBL5533230 0.84 TACR1 (0.44) METTACR1ROCK2ROCK1USP2
SCHEMBL6093073 0.84 TACR1 (0.41) TACR1ROCK2ROCK1CASP1CASP5
SCHEMBL6093672 0.82 TACR1 (0.40) TACR1ROCK2ROCK1CASP1CASP5

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 MET 1249/4885TACR1 4/4885ROCK2 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.