SCHEMBL4540931

SCHEMBL4540931

C[C@@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.69
MAOA P21397 1/20 0.69
SCN9A Q15858 1/20 0.69
BCHE P06276 1/20 0.53
GRM5 P41594 1/20 0.53
PPARA Q07869 1/20 0.53
NR4A2 P43354 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
SCHEMBL4540936 1.00 MAOB (0.69) MAOBMAOASCN9ABCHEGRM5
Hydrochloric Acid SCHEMBL31070308 0.86 MAOB (0.68) MAOBMAOASCN9ABCHE
SCHEMBL10435988 0.85 SLC2A1 (0.58) MAOBMAOASCN9ABCHE
SCHEMBL5020056 0.85 MAOB (0.72) MAOBMAOASCN9A
SCHEMBL17604065 0.84 MAOB (0.46) MAOBMAOASCN9A
SCHEMBL22960183 0.83 MAOB (0.70) MAOBMAOASCN9A
SCHEMBL2933423 0.83 MAOB (0.81) MAOBMAOASCN9APPARANR4A2
SCHEMBL2933427 0.83 MAOB (0.81) MAOBMAOASCN9APPARANR4A2
SCHEMBL14329886 0.83 MAOB (0.81) MAOBMAOASCN9AGRM5PPARA
SCHEMBL15219135 0.82 MAOB (0.65) MAOBMAOASCN9AGRM5PPARA

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
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
EP-2638007-A2 DRUG DERIVATIVES Redx Pharma Limited (GB) 2013-09-18 EP disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO 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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 MAOB 64/4885MAOA 24/4885SCN9A 3460/4885

“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.