SCHEMBL15096181

SCHEMBL15096181

Cc1ccc(C2CC2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.71
MAOB P27338 2/20 0.62
MAOA P21397 2/20 0.62
TLR2 O60603 3/20 0.49
TLR1 Q15399 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPHX2 P34913 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
PDE4B Q07343 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL17718446 1.00 KDM1A (0.71) KDM1AMAOBMAOATLR2TLR1
SCHEMBL15235894 1.00 KDM1A (0.71) KDM1AMAOBMAOATLR2TLR1
SCHEMBL16019177 0.88 KDM1A (0.71) KDM1AMAOBMAOATLR2TLR1
SCHEMBL13453249 0.88 KDM1A (0.71) KDM1AMAOBMAOATLR2TLR1
SCHEMBL15099831 0.88 KDM1A (0.71) KDM1AMAOBMAOATLR2TLR1
SCHEMBL17718439 0.88 KDM1A (0.71) KDM1AMAOBMAOATLR2TLR1
SCHEMBL17287389 0.87 KDM1A (0.70) KDM1AMAOBMAOATLR2TLR1
SCHEMBL15149989 0.87 KDM1A (0.70) KDM1AMAOBMAOATLR2TLR1
SCHEMBL2564604 0.87 KDM1A (0.70) KDM1AMAOBMAOATLR2TLR1
SCHEMBL5508735 0.87 KDM1A (0.70) KDM1AMAOBMAOATLR2TLR1

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 5 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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

“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.