SCHEMBL2773583

SCHEMBL2773583

CCOc1ccc(C2CC2NC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM1A O60341 6/20 0.47
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
EPHX2 P34913 1/20 0.44
KMT2A Q03164 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TSHR P16473 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
PLK1 P53350 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CNR2 P34972 1/20 0.43
POLB P06746 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
SCHEMBL2773586 1.00 SMN1; SMN2 (0.49) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL18043490 0.83 EPHX2 (0.56) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL18043489 0.83 EPHX2 (0.56) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL15091510 0.82 KDM1A (0.71) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL12971952 0.82 KDM1A (0.71) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL239614 0.82 KDM1A (0.67) KDM1AMAOAMAOB
SCHEMBL11903677 0.82 NPC1 (0.48) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL239613 0.82 KDM1A (0.67) KDM1AMAOAMAOB
SCHEMBL11903680 0.82 NPC1 (0.48) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL14882063 0.81 MME (0.46) SMN1; SMN2NPSR1KDM1AMAOAMAOB

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 SMN1; SMN2 3062/4885NPSR1 3482/4885KDM1A 1482/4885
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT SMN1; SMN2 47/4885NPSR1 1421/4885KDM1A 3423/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT SMN1; SMN2 47/4885NPSR1 1421/4885KDM1A 3423/4885
US-20100324147-A1 ARYLCYCLOPROPYLAMINES AND METHODS OF USE MAOA, MAOB, PNMT SMN1; SMN2 2788/4885NPSR1 2678/4885KDM1A 14/4885

“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.