SCHEMBL2776604

SCHEMBL2776604

CCOc1ccc([C@@H]2C[C@H]2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.55
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
FFAR4 Q5NUL3 1/20 0.47
GPR88 Q9GZN0 1/20 0.47
CYP4F2 P78329 4/20 0.46
CYP4A11 Q02928 4/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NQO1 P15559 1/20 0.45
PARP10 Q53GL7 1/20 0.45

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
SCHEMBL2776602 1.00 FFAR1 (0.55) FFAR1TSHRPOLBKMT2ASMN1; SMN2
SCHEMBL10272652 0.88 RAB9A (0.58) FFAR1TSHRCYP4F2CYP4A11
SCHEMBL14747475 0.88 FFAR1 (0.52) FFAR1TSHRCYP4F2CYP4A11L3MBTL1
SCHEMBL2776446 0.84 SLC6A2 (0.56) TSHRPOLBKMT2AGPR88SLC6A2
SCHEMBL15091893 0.84 FFAR1 (0.52) FFAR1FFAR4CYP4F2CYP4A11L3MBTL1
SCHEMBL31729334 0.84 FFAR1 (0.52) FFAR1FFAR4CYP4F2CYP4A11L3MBTL1
SCHEMBL2776444 0.84 SLC6A2 (0.56) TSHRPOLBKMT2AGPR88SLC6A2
SCHEMBL12577538 0.83 FFAR1 (0.53) FFAR1FFAR4CYP4F2CYP4A11
SCHEMBL2961573 0.82 SLC9A1 (0.49) FFAR1SMN1; SMN2FFAR4CYP4F2CYP4A11
SCHEMBL18596476 0.81 RAB9A (0.57) FFAR1KMT2ASMN1; SMN2GPR88L3MBTL1

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 6 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
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 FFAR1 3115/4885TSHR 423/4885POLB 773/4885
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT FFAR1 3414/4885TSHR 1034/4885POLB 664/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT FFAR1 3414/4885TSHR 1034/4885POLB 664/4885
US-20100324147-A1 ARYLCYCLOPROPYLAMINES AND METHODS OF USE MAOA, MAOB, PNMT FFAR1 3779/4885TSHR 2282/4885POLB 555/4885

“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.