SCHEMBL10201708

SCHEMBL10201708

CC(C)(C)CN1CCC2(CCN(S(C)(=O)=O)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 14/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C9 P11712 6/20 0.47
CYP3A4 P08684 6/20 0.47
CYP2C19 P33261 4/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 5/20 0.46
TSHR P16473 4/20 0.46
HIF1A Q16665 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.40

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
SCHEMBL10201854 0.92 CYP2D6 (0.54) CYP2D6SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL10201742 0.90 CYP2D6 (0.49) CYP2D6SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL10201852 0.90 CYP2D6 (0.60) CYP2D6SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL15762045 0.85 CYP2D6 (0.46) CYP2D6SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL18385740 0.82 TSHR (0.36) CYP2D6CYP1A2TSHRALOX15
SCHEMBL26455582 0.82 TSHR (0.36) CYP2D6CYP1A2TSHRALOX15
SCHEMBL15871708 0.81 CYP2D6 (0.57) CYP2D6SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL10263112 0.78 CYP2D6 (0.54) CYP2D6SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL19962318 0.77 HSD11B1 (0.36) CYP2D6MEN1KMT2ACYP2C9CYP3A4
SCHEMBL12228921 0.77 TSHR (0.33) CYP2D6CYP1A2TSHRALOX15

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 CYP2D6 4437/4885SMN1; SMN2 4588/4885MEN1 4700/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA CYP2D6 1969/4885SMN1; SMN2 3221/4885MEN1 1893/4885

“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.