SCHEMBL17509754

SCHEMBL17509754

CC(NC1CC1c1ccccc1)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.53
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
HSD17B2 P37059 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4135609 0.76 KDM1A (0.63) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL25069642 0.76 KDM1A (0.63) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL4135605 0.76 KDM1A (0.63) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL12870250 0.76 KDM1A (0.63) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL2756020 0.70 KDM1A (1.00) KDM1AMAOBMAOA
SCHEMBL15130495 0.70 KDM1A (0.52) KDM1AMAOBMAOA
SCHEMBL239559 0.70 KDM1A (1.00) KDM1AMAOBMAOA
SCHEMBL239558 0.70 KDM1A (1.00) KDM1AMAOBMAOA
SCHEMBL553460 0.69
SCHEMBL20420603 0.69 KDM1A (0.77) KDM1AMAOBMAOASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045456-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS S.A. (ES) 2016-02-18 US claimed

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-20160045456-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE PNMT, ABCB1, SNCA KDM1A 1515/4885MAOB 143/4885MAOA 80/4885

“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.