SCHEMBL5528780

SCHEMBL5528780

CS(=O)(=O)N1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)OCCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.38
TACR3 P29371 1/20 0.38
HTR6 P50406 4/20 0.37
DRD2 P14416 3/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CASP1 P29466 1/20 0.35
CASP5 P51878 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 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
SCHEMBL5539955 0.88 MET (0.40) TACR1CYP2D6CYP1A2CYP3A4TSHR
SCHEMBL6094098 0.88 SMO (0.40) TACR1HTR6ROCK2ROCK1PIK3CA
SCHEMBL5534340 0.87 GPBAR1 (0.47) TACR1TACR3CYP2D6MEN1CYP1A2
SCHEMBL6096328 0.86 TACR1 (0.38) TACR1CYP2D6CYP3A4CASP1CASP5
SCHEMBL5532515 0.86 MET (0.39) TACR1CYP2D6CYP1A2CYP3A4TSHR
SCHEMBL6092544 0.85 TACR1 (0.38) TACR1CASP1CASP5ROCK2ROCK1
SCHEMBL6093388 0.83 TACR1 (0.35) TACR1HTR6CYP2D6CYP1A2CYP3A4
SCHEMBL6092166 0.83 CNR1 (0.39) TACR1CYP2D6ROCK2ROCK1TNIK
SCHEMBL6093680 0.82 CYP2D6 (0.38) TACR1CYP2D6CASP1CASP5ROCK2
SCHEMBL5532454 0.82 TACR1 (0.41) TACR1GPBAR1ROCK2ROCK1TNIK

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 TACR1 4/4885TACR3 37/4885HTR6 270/4885

“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.