SCHEMBL2274576

SCHEMBL2274576

COC(=O)C1CN(Cc2cccc(N)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
S1PR5 Q9H228 3/20 0.43
MAOB P27338 1/20 0.42
ABHD6 Q9BV23 1/20 0.41
LTA4H P09960 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL1601657 0.84 FAAH (0.51) S1PR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL10077194 0.84 MAOB (0.56) MEN1KMT2AKDM4EALDH1A1MAOB
SCHEMBL12319525 0.84 MEN1 (0.44) S1PR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6616917 0.83 S1PR5 (0.60) S1PR1KDM4EALDH1A1MAPTS1PR5
SCHEMBL18300934 0.82 MEN1 (0.43) S1PR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL2234102 0.81 ALDH1A1 (0.54) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL62842 0.77 S1PR5 (0.57) S1PR1ALDH1A1MAPTS1PR5MAOB
SCHEMBL51880 0.77 S1PR5 (0.57) S1PR1ALDH1A1MAPTS1PR5MAOB
SCHEMBL8321624 0.77 KDM4E (0.54) S1PR1KDM4EALDH1A1MAPTS1PR5
SCHEMBL15564870 0.76 ENPP2 (0.53) S1PR1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
EP-2531487-B1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2014-06-18 EP disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 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-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS UGT2B7, NAT1, CYP2B6 S1PR1 3064/4885MEN1 3015/4885KMT2A 806/4885

“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.