SCHEMBL10201854

SCHEMBL10201854

CC(C)(C)CN1CC2(CCN(S(C)(=O)=O)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 13/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP2C9 P11712 7/20 0.51
CYP3A4 P08684 7/20 0.51
CYP2C19 P33261 6/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 4/20 0.48
HSD17B10 Q99714 3/20 0.46
HIF1A Q16665 2/20 0.46
USP2 O75604 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 3/20 0.44
ALOX15 P16050 2/20 0.43

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
SCHEMBL10201708 0.92 CYP2D6 (0.53) CYP2D6MEN1KMT2ACYP2C9CYP3A4
SCHEMBL10201852 0.88 CYP2D6 (0.60) CYP2D6MEN1KMT2ACYP2C9CYP3A4
SCHEMBL15762045 0.86 CYP2D6 (0.46) CYP2D6MEN1KMT2ACYP2C9CYP3A4
SCHEMBL10201742 0.85 CYP2D6 (0.49) CYP2D6MEN1KMT2ACYP2C9CYP3A4
SCHEMBL15871712 0.80 CYP2D6 (0.58) CYP2D6MEN1KMT2ACYP2C9CYP3A4
SCHEMBL9917289 0.77 NPSR1 (0.41) CYP2D6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10268174 0.77 CYP2D6 (0.55) CYP2D6MEN1KMT2ACYP2C9CYP3A4
SCHEMBL19505124 0.77 CYP2D6 (0.50) CYP2D6MEN1KMT2ACYP2C9CYP3A4
SCHEMBL15871708 0.75 CYP2D6 (0.57) CYP2D6MEN1KMT2ACYP2C9CYP3A4
SCHEMBL26138744 0.74 GRIN2D (0.35) USP2HPGDTSHR

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 4437/4885MEN1 4700/4885KMT2A 3182/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA CYP2D6 1969/4885MEN1 1893/4885KMT2A 1472/4885

“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.