SCHEMBL6093341

SCHEMBL6093341

O=C1c2c(-c3ccccc3F)ccnc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 9/20 0.61
ADRB2 P07550 1/20 0.61
FPR1 P21462 1/20 0.61
GPR183 P32249 1/20 0.61
APLNR P35414 1/20 0.61
GLP1R P43220 1/20 0.61
GPR35 Q9HC97 1/20 0.61
TACR1 P25103 8/20 0.43
DGAT1 O75907 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 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
SCHEMBL6093277 0.90 GPBAR1 (0.49) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL5531984 0.90 ADRB2 (0.49) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL5534158 0.89 GPBAR1 (0.49) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL5532435 0.88 GPBAR1 (0.47) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL5527548 0.86 ADRB2 (0.46) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL6093949 0.85 GPBAR1 (0.48) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL5530614 0.84 ADRB2 (0.50) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL6093417 0.83 TACR1 (0.45) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL6989544 0.83 GPBAR1 (0.50) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL5530366 0.82 TACR1 (0.45) GPBAR1ADRB2FPR1GPR183APLNR

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 GPBAR1 373/4885ADRB2 247/4885FPR1 250/4885

“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.