SCHEMBL6093417

SCHEMBL6093417

O=C1c2c(-c3ccc(Cl)cc3)ccnc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.45
GPBAR1 Q8TDU6 2/20 0.43
ADRB2 P07550 1/20 0.43
FPR1 P21462 1/20 0.43
GPR183 P32249 1/20 0.43
APLNR P35414 1/20 0.43
GLP1R P43220 1/20 0.43
GPR35 Q9HC97 1/20 0.43
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
TNIK Q9UKE5 2/20 0.38
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
DGAT1 O75907 4/20 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
SCHEMBL5527548 0.92 ADRB2 (0.46) TACR1GPBAR1ADRB2FPR1GPR183
SCHEMBL5534158 0.91 GPBAR1 (0.49) TACR1GPBAR1ADRB2FPR1GPR183
SCHEMBL6093840 0.87 TACR1 (0.41) TACR1GPBAR1ADRB2FPR1GPR183
SCHEMBL6093277 0.86 GPBAR1 (0.49) TACR1GPBAR1ADRB2FPR1GPR183
SCHEMBL6788440 0.85 TACR1 (0.51) TACR1GPBAR1ADRB2FPR1GPR183
SCHEMBL6989544 0.85 GPBAR1 (0.50) TACR1GPBAR1ADRB2FPR1GPR183
SCHEMBL6093341 0.83 GPBAR1 (0.61) TACR1GPBAR1ADRB2FPR1GPR183
SCHEMBL5531984 0.83 ADRB2 (0.49) TACR1GPBAR1ADRB2FPR1GPR183
SCHEMBL5530366 0.82 TACR1 (0.45) TACR1GPBAR1ADRB2FPR1GPR183
SCHEMBL6096402 0.81 TACR1 (0.38) TACR1GPBAR1ADRB2FPR1GPR183

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 3/4885GPBAR1 373/4885ADRB2 247/4885

“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.