SCHEMBL10201701

SCHEMBL10201701

CC(C)(C)CN1CC2CN(S(C)(=O)=O)CC2C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.34
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20243885 0.83 CYP2D6 (0.30) CYP2D6SMN1; SMN2
SCHEMBL15871709 0.77 CYP2D6 (0.35) CYP2D6SMN1; SMN2
SCHEMBL23919070 0.77 ATM (0.31)
SCHEMBL16474059 0.77 ATM (0.31)
SCHEMBL10202079 0.76 ACHE (0.33)
SCHEMBL17359937 0.75 ELANE (0.33) ELANE
SCHEMBL9917289 0.75 NPSR1 (0.41) CYP2D6SMN1; SMN2
SCHEMBL10268170 0.75 GBA1 (0.36) CYP2D6SMN1; SMN2
SCHEMBL12228859 0.74 GAA (0.30)
SCHEMBL17281936 0.74 GAA (0.30)

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-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
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 ELANE 4226/4885CYP2D6 4437/4885SMN1; SMN2 4588/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA ELANE 3695/4885CYP2D6 1969/4885SMN1; SMN2 3221/4885

“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.