SCHEMBL2776191

SCHEMBL2776191

O=C(O)NC1CC1c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM1A O60341 7/20 0.54
MAOA P21397 4/20 0.52
MAOB P27338 3/20 0.52
EPHX2 P34913 8/20 0.51
KCNH2 Q12809 1/20 0.49
SCN3A Q9NY46 1/20 0.49
CNR1 P21554 1/20 0.46

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
SCHEMBL2776196 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL3457343 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL6154005 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL7980208 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL6153775 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL18043489 0.83 EPHX2 (0.56) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL18043490 0.83 EPHX2 (0.56) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL12972001 0.82 KDM1A (0.71) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL15091992 0.82 KDM1A (0.71) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL2362145 0.82 SMN1; SMN2 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.