SCHEMBL5912424

SCHEMBL5912424

O=C(Nc1ccc(Cl)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 5/20 0.65
▸ LMNA P02545 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ ALOX5 P09917 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CA12 O43570 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ TAS1R3 Q7RTX0 1/20 0.52
▸ TAS1R1 Q7RTX1 1/20 0.52
▸ TAS1R2 Q8TE23 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TRPV1 Q8NER1 1/20 0.52

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
SCHEMBL5911924 0.93 S1PR2 (0.59) S1PR2LMNANPC1RAB9ATDP1
SCHEMBL5911781 0.93 S1PR2 (0.59) S1PR2LMNANPC1RAB9ATDP1
SCHEMBL5912441 0.90 S1PR2 (0.68) S1PR2LMNANPC1RAB9ATDP1
SCHEMBL5912762 0.90 NPC1 (0.61) S1PR2LMNANPC1RAB9AMEN1
SCHEMBL5912863 0.88 S1PR2 (0.64) S1PR2ALDH1A1SMN1; SMN2EPHX2
SCHEMBL5911925 0.87 S1PR2 (0.64) S1PR2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5912114 0.87 S1PR2 (0.81) S1PR2
SCHEMBL5912494 0.87 NPSR1 (0.65) S1PR2NPC1RAB9AMEN1KMT2A
SCHEMBL5912385 0.85 S1PR2 (0.65) S1PR2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5912013 0.85 S1PR2 (0.78) S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 480/4885LMNA 754/4885NPC1 616/4885

“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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