SCHEMBL6091986

SCHEMBL6091986

CNC1CCN(c2cc(-c3ccccc3)c3c(n2)OCCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.41
HRH4 Q9H3N8 6/20 0.41
TNIK Q9UKE5 1/20 0.36
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 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
SCHEMBL6093073 0.87 TACR1 (0.41) TACR1TNIKROCK2ROCK1GRIN1
SCHEMBL6093672 0.85 TACR1 (0.40) TACR1ROCK2ROCK1
SCHEMBL6092004 0.85 TACR1 (0.39) TACR1ROCK2ROCK1
SCHEMBL5526922 0.82 MET (0.48) TACR1TNIKROCK2ROCK1
SCHEMBL6092166 0.82 CNR1 (0.39) TACR1TNIKCHRM1MCHR1ROCK2
SCHEMBL6094098 0.82 SMO (0.40) TACR1TNIKROCK2ROCK1
SCHEMBL15680031 0.81 TACR1 (0.36) TACR1TNIKROCK2ROCK1
SCHEMBL6790261 0.81 TACR1 (0.45) TACR1ROCK2ROCK1GRIN1GRIN2B
SCHEMBL5531994 0.81 MET (0.46) TACR1TNIKROCK2ROCK1
SCHEMBL6096328 0.80 TACR1 (0.38) TACR1TNIKKCNH2MCHR1ROCK2

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 3/4885HRH4 9/4885TNIK 2682/4885

“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.