SCHEMBL6096402

SCHEMBL6096402

O=C1c2c(-c3ccc(Cl)cc3)cc[n+]([O-])c2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
TNIK Q9UKE5 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
ADRB2 P07550 1/20 0.31
FPR1 P21462 1/20 0.31
GPR183 P32249 1/20 0.31
APLNR P35414 1/20 0.31
GLP1R P43220 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
GPR35 Q9HC97 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
RHOC P08134 1/20 0.31
RHOA P61586 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL5534523 0.92 TACR1 (0.39) TACR1ROCK2ROCK1TNIKSIRT2
SCHEMBL5526089 0.91 TACR1 (0.46) TACR1ROCK2ROCK1TNIKSIRT2
SCHEMBL6095968 0.87 SIRT2 (0.36) TACR1ROCK2ROCK1TNIKSIRT2
SCHEMBL6092449 0.84 GPBAR1 (0.45) TACR1ROCK2ROCK1TNIKSIRT2
SCHEMBL6094502 0.83 TACR1 (0.40) TACR1ROCK2ROCK1SIRT2SIRT1
SCHEMBL5532734 0.81 CETP (0.38) TACR1ROCK2ROCK1SIRT2SIRT1
SCHEMBL6093417 0.81 TACR1 (0.45) TACR1ROCK2ROCK1TNIKADRB2
SCHEMBL6093840 0.79 TACR1 (0.41) TACR1ROCK2ROCK1TNIKADRB2
SCHEMBL6794324 0.77 TACR1 (0.41) TACR1ROCK2ROCK1SIRT2SIRT1
SCHEMBL5532454 0.73 TACR1 (0.41) TACR1ROCK2ROCK1TNIKADRB2

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.