SCHEMBL2776444

SCHEMBL2776444

CCOc1ccc(C2CC2C(=O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
ACACB O00763 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
PLK1 P53350 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR2 P34972 1/20 0.44
IDO1 P14902 2/20 0.43
TSHR P16473 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
SCHEMBL2776446 1.00 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3L3MBTL1ALDH1A1
SCHEMBL15092018 0.87 NPC1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1NPC1
SCHEMBL15092017 0.87 NPC1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1NPC1
SCHEMBL18596567 0.87 NPC1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1NPC1
SCHEMBL2776602 0.84 FFAR1 (0.55) SLC6A2SLC6A4SLC6A3L3MBTL1KMT2A
SCHEMBL2776604 0.84 FFAR1 (0.55) SLC6A2SLC6A4SLC6A3L3MBTL1KMT2A
SCHEMBL12976835 0.84 L3MBTL1 (0.50) SLC6A2SLC6A4SLC6A3L3MBTL1ALDH1A1
SCHEMBL2359242 0.84 MAPT (0.56) SLC6A2SLC6A4SLC6A3L3MBTL1ALDH1A1
SCHEMBL2359239 0.84 MAPT (0.56) SLC6A2SLC6A4SLC6A3L3MBTL1ALDH1A1
SCHEMBL15091446 0.83 NPC1 (0.41) SLC6A2SLC6A4SLC6A3NPC1MAPT

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 12 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-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
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 SLC6A2 357/4885SLC6A4 194/4885SLC6A3 441/4885
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT SLC6A2 42/4885SLC6A4 50/4885SLC6A3 12/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT SLC6A2 42/4885SLC6A4 50/4885SLC6A3 12/4885
US-20100324147-A1 ARYLCYCLOPROPYLAMINES AND METHODS OF USE MAOA, MAOB, PNMT SLC6A2 353/4885SLC6A4 439/4885SLC6A3 410/4885

“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.