SCHEMBL10201742

SCHEMBL10201742

CC(C)(C)CN1CCC2(CC1)CCN(S(C)(=O)=O)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 14/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 10/20 0.44
TSHR P16473 5/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 6/20 0.41
CYP2C19 P33261 5/20 0.40
CYP1A2 P05177 5/20 0.40
ALDH1A1 P00352 3/20 0.40
USP2 O75604 2/20 0.39
HIF1A Q16665 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL15762045 0.92 CYP2D6 (0.46) CYP2D6SMN1; SMN2CYP3A4TSHRMEN1
SCHEMBL10201708 0.90 CYP2D6 (0.53) CYP2D6SMN1; SMN2CYP3A4TSHRMEN1
SCHEMBL10201852 0.90 CYP2D6 (0.60) CYP2D6SMN1; SMN2CYP3A4TSHRMEN1
SCHEMBL10201854 0.85 CYP2D6 (0.54) CYP2D6SMN1; SMN2CYP3A4TSHRMEN1
SCHEMBL26455582 0.78 TSHR (0.36) CYP2D6TSHRCYP1A2
SCHEMBL18418138 0.77 CYP2D6 (0.41) CYP2D6SMN1; SMN2CYP3A4TSHRMEN1
SCHEMBL16261385 0.76 CYP2D6 (0.51) CYP2D6SMN1; SMN2CYP3A4TSHRCYP2C9
SCHEMBL9917289 0.76 NPSR1 (0.41) CYP2D6SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL12683692 0.76 CYP2D6 (0.51) CYP2D6SMN1; SMN2CYP3A4TSHRCYP2C9
SCHEMBL22256988 0.75 CYP2D6 (0.43) CYP2D6SMN1; SMN2CYP3A4TSHRMEN1

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 4588/4885CYP3A4 3783/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA CYP2D6 1969/4885SMN1; SMN2 3221/4885CYP3A4 1280/4885

“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.