SCHEMBL5912296

SCHEMBL5912296

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(F)cc2)CC1

nearest known ligand 0.91

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 13/20 0.91
▸ GRIN2B Q13224 1/20 0.58
▸ USP2 O75604 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ TRPM8 Q7Z2W7 1/20 0.49

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
SCHEMBL5911874 0.95 S1PR2 (1.00) S1PR2GRIN2BUSP2CYP2C9CYP1A2
SCHEMBL5912459 0.90 S1PR2 (0.78) S1PR2GRIN2BUSP2CYP2C9CYP1A2
SCHEMBL5912278 0.89 S1PR2 (0.88) S1PR2GRIN2BUSP2CYP2C9CYP1A2
SCHEMBL5912027 0.89 S1PR2 (0.74) S1PR2GRIN2BUSP2CYP2C9CYP1A2
SCHEMBL5912178 0.89 S1PR2 (0.73) S1PR2GRIN2BUSP2CYP2C9CYP1A2
SCHEMBL5912444 0.88 S1PR2 (0.86) S1PR2GRIN2BUSP2CYP2C9CYP1A2
SCHEMBL5912723 0.88 S1PR2 (1.00) S1PR2GRIN2BUSP2CYP2C9CYP1A2
SCHEMBL5911973 0.88 S1PR2 (1.00) S1PR2USP2CYP2C9CYP1A2TRPM8
SCHEMBL5912435 0.87 S1PR2 (0.85) S1PR2GRIN2BUSP2CYP2C9CYP1A2
SCHEMBL5912301 0.86 S1PR2 (0.70) S1PR2GRIN2BUSP2CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508204-B1 Remedies for diseases caused by vascular contraction or dilation ONO PHARMACEUTICAL CO (JP) 2014-09-24 — — EP disclosed
US-8765783-B2 Pharmaceutical composition for treatment of disease due to vascular constriction or vasodilation ONO PHARMACEUTICALS CO., LTD. (JP) 2014-07-01 — — US disclosed
EP-1522314-B1 REMEDIES FOR DISEASES CAUSED BY VASCULAR CONTRACTION OR DILATION ONO PHARMACEUTICAL CO (JP) 2014-03-05 — — EP disclosed
EP-2508204-A2 Remedies for diseases caused by vascular contraction or dilation ONO PHARMACEUTICAL CO., LTD. (JP) 2012-10-10 — — EP disclosed
US-20060148844-A1 Pharmaceutical composition for treatment of disease due to vascular constriction or vasodilation ONO PHARMACEUTICAL CO., LTD 2006-07-06 — — US disclosed
EP-1522314-A1 REMEDIES FOR DISEASES CAUSED BY VASCULAR CONTRACTION OR DILATION ONO PHARMACEUTICAL CO., LTD. (JP) 2005-04-13 — — 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-20060148844-A1 Pharmaceutical composition for treatment of disease due to vascular constriction or vasodilation EDNRA, EDNRB, CACNG5 S1PR2 480/4885GRIN2B 605/4885USP2 4472/4885

“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.

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