SCHEMBL5532454

SCHEMBL5532454

O=C1c2c(-c3ccc(F)cc3)cc(Cl)nc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
TNIK Q9UKE5 3/20 0.37
AURKA O14965 1/20 0.37
FLT1 P17948 1/20 0.37
GCK P35557 1/20 0.37
FLT4 P35916 1/20 0.37
MAP3K11 Q16584 1/20 0.37
STK17A Q9UEE5 1/20 0.37
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRM2 Q14416 2/20 0.35
ADRB2 P07550 1/20 0.35
FPR1 P21462 1/20 0.35
GPR183 P32249 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
SCHEMBL6093840 0.94 TACR1 (0.41) TACR1ROCK2ROCK1TNIKJUN
SCHEMBL5530949 0.92 TACR1 (0.44) TACR1ROCK2ROCK1TNIKJUN
SCHEMBL6093949 0.86 GPBAR1 (0.48) TACR1ROCK2ROCK1TNIKJUN
SCHEMBL6092470 0.85 TACR1 (0.39) TACR1ROCK2ROCK1TNIKJUN
SCHEMBL5527548 0.85 ADRB2 (0.46) TACR1ROCK2ROCK1TNIKAURKA
SCHEMBL5530963 0.84 TACR1 (0.41) TACR1ROCK2ROCK1JUNNFKB1
SCHEMBL5530937 0.84 CETP (0.39) TACR1ROCK2ROCK1GRM2ADRB2
SCHEMBL5528780 0.82 TACR1 (0.38) TACR1ROCK2ROCK1TNIKGPBAR1
SCHEMBL6096328 0.82 TACR1 (0.38) TACR1ROCK2ROCK1TNIKAURKA
SCHEMBL5539955 0.82 MET (0.40) TACR1ROCK2ROCK1TNIKAURKA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489083-B1 FUSED BICYCLIC PYRIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST KYORIN SEIYAKU KK (JP) 2007-06-06 EP disclosed
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-7026309-B2 Fused bicyclic pyridine derivative as tachykinin receptor antagonist KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-04-11 US disclosed
US-20050107375-A1 Fused bicyclic pyridine derivatives as tachykinin receptor antagonists KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-05-19 US disclosed
US-20050101591-A1 Fused bicyclic pyridine derivative as tachykinin receptor antagonist KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1489083-A1 FUSED BICYCLIC PYRIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Kyorin Pharmaceutical Co., Ltd. (JP) 2004-12-22 EP 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 (2 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
US-20050101591-A1 Fused bicyclic pyridine derivative as tachykinin receptor antagonist BDKRB1, BDKRB2, NPY1R TACR1 4/4885ROCK2 3615/4885ROCK1 1877/4885

“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.