SCHEMBL6095231

SCHEMBL6095231

O=C1c2c(-c3ccccc3F)cc(N3CCC(N4CCCC4)CC3)nc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
FPR1 P21462 1/20 0.42
GPR183 P32249 1/20 0.42
APLNR P35414 1/20 0.42
GLP1R P43220 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
GPR35 Q9HC97 1/20 0.42
HRH3 Q9Y5N1 1/20 0.38
TACR1 P25103 15/20 0.36
CASP1 P29466 1/20 0.35
CASP5 P51878 1/20 0.35
MAT2A P31153 1/20 0.34
SLC6A4 P31645 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 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
SCHEMBL6095621 0.92 TACR1 (0.39) HRH3TACR1CASP1CASP5
SCHEMBL6093950 0.92 CHRM4 (0.38) HRH3TACR1CASP1CASP5SLC6A4
SCHEMBL6093672 0.91 TACR1 (0.40) HRH3TACR1CASP1CASP5SLC6A4
SCHEMBL6092004 0.90 TACR1 (0.39) HRH3TACR1SLC6A4ROCK2ROCK1
SCHEMBL6095228 0.90 TACR1 (0.41) HRH3TACR1SLC6A4
SCHEMBL6092544 0.89 TACR1 (0.38) HRH3TACR1CASP1CASP5ROCK2
SCHEMBL6093227 0.88 TACR1 (0.40) HRH3TACR1CASP1CASP5ROCK2
SCHEMBL6093917 0.87 TACR1 (0.40) TACR1
SCHEMBL15680031 0.87 TACR1 (0.36) HRH3TACR1SLC6A4ROCK2ROCK1
SCHEMBL6094210 0.86 TACR1 (0.37) HRH3TACR1CASP1CASP5ROCK2

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 ADRB2 247/4885FPR1 250/4885GPR183 605/4885

“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.