SCHEMBL10202129

SCHEMBL10202129

CN1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)c2)CC1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.81
HPGD P15428 3/20 0.60
ALOX15 P16050 1/20 0.60
HTT P42858 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 2/20 0.59
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
STAT1 P42224 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 1/20 0.52
CNR2 P34972 3/20 0.51
CNR1 P21554 3/20 0.50
HPGDS O60760 1/20 0.49

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
SCHEMBL3946002 0.90 EPHX2 (1.00) EPHX2HPGDHTTALDH1A1TP53
SCHEMBL15871715 0.87 EPHX2 (0.75) EPHX2HPGDHTTALDH1A1TP53
SCHEMBL20458861 0.84 EPHX2 (0.71) EPHX2HPGDHTTALDH1A1TP53
SCHEMBL10268102 0.84 EPHX2 (0.71) EPHX2HPGDHTTALDH1A1TP53
SCHEMBL15623912 0.80 EPHX2 (0.65) EPHX2HPGDHTTALDH1A1TP53
SCHEMBL12305548 0.80 HPGD (0.68) EPHX2HPGDALOX15HTTALDH1A1
SCHEMBL133263 0.79 NR1H4 (0.72) EPHX2HTTNPC1RAB9ALMNA
SCHEMBL3934244 0.78 EPHX2 (1.00) EPHX2HPGDHTTALDH1A1TP53
SCHEMBL29503806 0.77 RAB9A (0.63) EPHX2HPGDHTTALDH1A1TP53
SCHEMBL18193200 0.77 EPHX2 (0.60) EPHX2HPGDALDH1A1TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
US-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-06-05 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 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 (2 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-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing PLIN1, PCK2, PLIN3 EPHX2 3905/4885HPGD 710/4885ALOX15 701/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA EPHX2 4465/4885HPGD 2685/4885ALOX15 3139/4885

“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.