SCHEMBL6092544

SCHEMBL6092544

O=C1c2c(-c3ccc(F)cc3)cc(N3CCC(N4CCCC4)CC3)nc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.38
HRH3 Q9Y5N1 2/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CASP1 P29466 1/20 0.35
CASP5 P51878 1/20 0.35
TNIK Q9UKE5 3/20 0.35
AURKA O14965 1/20 0.34
FLT1 P17948 1/20 0.34
GCK P35557 1/20 0.34
FLT4 P35916 1/20 0.34
MAP3K11 Q16584 1/20 0.34
STK17A Q9UEE5 1/20 0.34
CSNK1E P49674 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
SCHEMBL6093388 0.95 TACR1 (0.35) TACR1HRH3ROCK2ROCK1CASP1
SCHEMBL6094210 0.93 TACR1 (0.37) TACR1HRH3ROCK2ROCK1CASP1
SCHEMBL6093672 0.93 TACR1 (0.40) TACR1HRH3ROCK2ROCK1CASP1
SCHEMBL6092004 0.92 TACR1 (0.39) TACR1HRH3ROCK2ROCK1
SCHEMBL6093680 0.90 CYP2D6 (0.38) TACR1ROCK2ROCK1CASP1CASP5
SCHEMBL6096328 0.89 TACR1 (0.38) TACR1ROCK2ROCK1CASP1CASP5
SCHEMBL15680031 0.89 TACR1 (0.36) TACR1HRH3ROCK2ROCK1TNIK
SCHEMBL6095231 0.89 ADRB2 (0.42) TACR1HRH3ROCK2ROCK1CASP1
SCHEMBL6092166 0.88 CNR1 (0.39) TACR1ROCK2ROCK1TNIK
SCHEMBL6095621 0.86 TACR1 (0.39) TACR1HRH3CASP1CASP5

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 6 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 claimed
US-20050107375-A1 Fused bicyclic pyridine derivatives as tachykinin receptor antagonists KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-05-19 US claimed
EP-1457493-A1 FUSED BICYCLIC PYRIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS Kyorin Pharmaceutical Co., Ltd. (JP) 2004-09-15 EP claimed
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 3/4885HRH3 34/4885ROCK2 3047/4885

“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.