SCHEMBL15096174

SCHEMBL15096174

COC(=O)C1CC1c1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ALDH1A1 P00352 2/20 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

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
SCHEMBL23309243 0.84 CA12 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22070494 0.84 CA12 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20525006 0.83 PPARG (0.39) SLC6A2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL20525004 0.83 PPARG (0.39) SLC6A2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL15430483 0.81 DEGS1 (0.50) IDO1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL15430481 0.81 DEGS1 (0.50) IDO1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL14097153 0.81 ALDH1A1 (0.63) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL16229142 0.81 DEGS1 (0.50) IDO1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1100407 0.81 DEGS1 (0.50) IDO1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL2359242 0.80 MAPT (0.56) SLC6A2SLC6A4SLC6A3ALDH1A1

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 4 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-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 IDO1 1607/4885SLC6A2 357/4885SLC6A4 194/4885
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT IDO1 660/4885SLC6A2 42/4885SLC6A4 50/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT IDO1 660/4885SLC6A2 42/4885SLC6A4 50/4885

“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.