SCHEMBL5912349

SCHEMBL5912349

O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC(O)(c2ccc3ccccc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.53
NPSR1 Q6W5P4 3/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.47
OPRL1 P41146 1/20 0.46
CCR1 P32246 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
EPHX2 P34913 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5912322 0.92 S1PR2 (0.61) S1PR2NPSR1POLBMAPT
SCHEMBL5912698 0.91 NPSR1 (0.58) S1PR2NPSR1MAPTKMT2AMEN1
SCHEMBL5912592 0.87 NPSR1 (0.58) S1PR2NPSR1POLBMAPTPKM
SCHEMBL5912441 0.85 S1PR2 (0.68) S1PR2NPSR1POLBMAPTKMT2A
SCHEMBL5912433 0.83 S1PR2 (0.67) S1PR2MAPTOPRL1KDM4E
SCHEMBL5912081 0.82 S1PR2 (0.64) S1PR2NPSR1POLBMAPTKMT2A
SCHEMBL5912182 0.82 S1PR2 (0.58) S1PR2NPSR1POLBMAPT
SCHEMBL5912631 0.82 S1PR2 (0.68) S1PR2NPSR1POLBMAPTKMT2A
SCHEMBL5912423 0.81 SMN1; SMN2 (0.54) S1PR2NPSR1POLBMAPTPKM
SCHEMBL5911933 0.81 NPSR1 (0.51) S1PR2NPSR1POLBMAPTPKM

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 480/4885NPSR1 676/4885POLB 4836/4885

“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.