SCHEMBL12972001

SCHEMBL12972001

CC(C)(C)OC(=O)NC1CC1c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.71
MAOB P27338 4/20 0.61
MAOA P21397 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TLR2 O60603 2/20 0.46
TLR1 Q15399 2/20 0.46
EPHX2 P34913 4/20 0.44
BTK Q06187 2/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP13 P45452 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
SCHEMBL15091992 1.00 KDM1A (0.71) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL20724191 0.89 KDM1A (0.74) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL29451704 0.89 KDM1A (0.74) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL4817365 0.89 KDM1A (0.74) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL12242248 0.89 KDM1A (0.74) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL16155629 0.89 KDM1A (0.74) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL4817372 0.89 KDM1A (0.74) KDM1AMAOBMAOASMN1; SMN2NPSR1
Bicarbonate SCHEMBL13731428 0.88 KDM1A (0.72) KDM1AMAOBMAOASMN1; SMN2NPSR1
Bicarbonate SCHEMBL13732448 0.88 KDM1A (0.72) KDM1AMAOBMAOASMN1; SMN2NPSR1
Bicarbonate SCHEMBL16223568 0.88 KDM1A (0.72) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 US disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 US disclosed
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2014-11-20 US disclosed
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2014-11-20 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
US-8389580-B2 Arylcyclopropylamines and methods of use DUKE UNIVERSITY (US) 2013-03-05 US disclosed
US-20100324147-A1 ARYLCYCLOPROPYLAMINES AND METHODS OF USE DUKE UNIVERSITY 2010-12-23 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 (4 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-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS BRCA1, NAT1, AADAC KDM1A 1482/4885MAOB 174/4885MAOA 363/4885
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT KDM1A 3423/4885MAOB 34/4885MAOA 39/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT KDM1A 3423/4885MAOB 34/4885MAOA 39/4885
US-20100324147-A1 ARYLCYCLOPROPYLAMINES AND METHODS OF USE MAOA, MAOB, PNMT KDM1A 14/4885MAOB 2/4885MAOA 1/4885

“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.