SCHEMBL6094847

SCHEMBL6094847

Cc1ccccc1-c1cc(N2CCC(N3CCCC3=O)CC2)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.36
CTSS P25774 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
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
ENPP2 Q13822 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
TACR2 P21452 1/20 0.32

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
SCHEMBL6095651 0.96 CTSS (0.38) TACR1CTSSCYP3A4CYP2D6HRH1
SCHEMBL6095621 0.90 TACR1 (0.39) TACR1CYP3A4
SCHEMBL6093917 0.89 TACR1 (0.40) TACR1CYP3A4CYP2D6RAF1BRAF
SCHEMBL6095509 0.88 TACR1 (0.41) TACR1CYP3A4GPBAR1
SCHEMBL6093680 0.87 CYP2D6 (0.38) TACR1CTSSCYP2D6HRH1ENPP2
SCHEMBL6093227 0.86 TACR1 (0.40) TACR1CYP3A4
SCHEMBL6093692 0.86 TACR1 (0.39) TACR1CYP3A4
SCHEMBL6093026 0.84 TACR1 (0.41) TACR1CYP3A4CYP2D6RAF1BRAF
SCHEMBL5534340 0.83 GPBAR1 (0.47) TACR1CYP3A4CYP2D6GPBAR1
SCHEMBL5527526 0.83 TACR1 (0.43) TACR1GPBAR1

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 3/4885CTSS 2397/4885CYP3A4 3822/4885

“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.