SCHEMBL2544715

SCHEMBL2544715

COc1ccc(Cn2ncc(N3CCOCC3)c(Cl)c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.55
MCHR1 Q99705 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
PDE1A P54750 2/20 0.49
PDE1B Q01064 2/20 0.49
PDE1C Q14123 2/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 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
SCHEMBL2187234 0.86 NPBWR1 (0.49) NPBWR1MCHR1SMN1; SMN2PDE1APDE1B
SCHEMBL2551079 0.82 PDE1A (0.46) NPBWR1MCHR1SMN1; SMN2PDE1APDE1B
SCHEMBL2186059 0.82 PDE1A (0.46) NPBWR1MCHR1SMN1; SMN2PDE1APDE1B
SCHEMBL2545681 0.78 L3MBTL1 (0.57) NPBWR1SMN1; SMN2PDE1APDE1BPDE1C
SCHEMBL2551062 0.78 NPBWR1 (0.77) NPBWR1MCHR1SMN1; SMN2
SCHEMBL14844510 0.76 NPBWR1 (0.67) NPBWR1MCHR1SMN1; SMN2
SCHEMBL24763741 0.74 NPBWR1 (0.54) NPBWR1MCHR1SMN1; SMN2PDE1APDE1B
SCHEMBL14844531 0.73 NPBWR1 (0.84) NPBWR1MCHR1SMN1; SMN2
SCHEMBL27077877 0.73 NPBWR1 (0.66) NPBWR1MCHR1SMN1; SMN2
SCHEMBL24251307 0.72 NPBWR1 (0.68) NPBWR1MCHR1

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
EP-2342179-B1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2015-05-27 EP disclosed
US-8536210-B2 Compounds for inhibiting semicarbazide-sensitive amine oxidase (SSAO)/vascular adhesion protein-1 (VAP-1) and uses thereof for treatment and prevention of diseases SEMMELWEIS EGYETEM (HU) 2013-09-17 US disclosed
US-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2011-10-27 US 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-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOX1, AOC3 NPBWR1 1079/4885MCHR1 687/4885SMN1; SMN2 190/4885

“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.