SCHEMBL6093073

SCHEMBL6093073

NC1CCN(c2cc(-c3ccccc3)c3c(n2)OCCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.41
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
TNIK Q9UKE5 2/20 0.36
CASP1 P29466 1/20 0.35
CASP5 P51878 1/20 0.35
ADRB2 P07550 1/20 0.34
FPR1 P21462 1/20 0.34
GPR183 P32249 1/20 0.34
APLNR P35414 1/20 0.34
GLP1R P43220 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PIK3CD O00329 1/20 0.33

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
SCHEMBL6093672 0.91 TACR1 (0.40) TACR1ROCK2ROCK1CASP1CASP5
SCHEMBL6092004 0.90 TACR1 (0.39) TACR1ROCK2ROCK1
SCHEMBL6091986 0.87 TACR1 (0.41) TACR1ROCK2ROCK1TNIKGRIN1
SCHEMBL15680031 0.86 TACR1 (0.36) TACR1ROCK2ROCK1TNIK
SCHEMBL5526922 0.86 MET (0.48) TACR1ROCK2ROCK1SIRT2SIRT1
SCHEMBL5531994 0.84 MET (0.46) TACR1ROCK2ROCK1TNIKCASP1
SCHEMBL6092544 0.83 TACR1 (0.38) TACR1ROCK2ROCK1TNIKCASP1
SCHEMBL6096328 0.83 TACR1 (0.38) TACR1ROCK2ROCK1TNIKCASP1
SCHEMBL14514053 0.83 GRIN1 (0.40) TACR1ROCK2ROCK1SIRT2SIRT1
SCHEMBL5530949 0.83 TACR1 (0.44) TACR1ROCK2ROCK1SIRT2SIRT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030107-B2 nitrogen compounds such as 5-[3,5-bis(trifluoromethyl)benzyl]-6-oxo-7-phenyl-9-[4-(pyrrolidine-1-yl)piperidine-1-yl]-2,3,4,5-tetrahydro-6H-pyrido[2,3-b][1,5]oxazocine, used as neurokinin inhibitors for prophylaxis of urogenital disorders; side effect reduction KYORIN PHARMACEUTICAL.CO., LTD. (JP) 2006-04-18 US disclosed
US-20050107375-A1 Fused bicyclic pyridine derivatives as tachykinin receptor antagonists KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-05-19 US disclosed
EP-1457493-A1 FUSED BICYCLIC PYRIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS Kyorin Pharmaceutical Co., Ltd. (JP) 2004-09-15 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-20050107375-A1 Fused bicyclic pyridine derivatives as tachykinin receptor antagonists BDKRB1, BDKRB2, TACR1 TACR1 3/4885ROCK2 3047/4885ROCK1 2028/4885

“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.