SCHEMBL10201515

SCHEMBL10201515

CC(C)(C)CN1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR119 Q8TDV5 6/20 0.44
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.40
NAMPT P43490 1/20 0.39
CYP11B2 P19099 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 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
SCHEMBL5554736 0.91 USP2 (0.44) CYP2D6USP2SMN1; SMN2GPR119HPGD
SCHEMBL10201505 0.91 CYP11B2 (0.47) CYP2D6USP2SMN1; SMN2GPR119CYP11B2
SCHEMBL17946237 0.89 ACACB (0.42) CYP2D6USP2SMN1; SMN2HPGDCYP11B2
SCHEMBL31042683 0.88 CYP2D6 (0.44) CYP2D6USP2SMN1; SMN2GPR119TSHR
SCHEMBL20353659 0.86 CYP2D6 (0.48) CYP2D6USP2SMN1; SMN2GPR119TSHR
SCHEMBL1306945 0.85 USP2 (0.53) USP2SMN1; SMN2HPGDEPHX2CHRM2
SCHEMBL30049604 0.85 CYP2D6 (0.44) CYP2D6USP2SMN1; SMN2GPR119TSHR
SCHEMBL346995 0.85 USP2 (0.56) CYP2D6USP2SMN1; SMN2GPR119HPGD
SCHEMBL10263386 0.83 CYP2D6 (0.46) CYP2D6USP2SMN1; SMN2GPR119TSHR
SCHEMBL26148187 0.83 CYP2D6 (0.46) CYP2D6USP2SMN1; SMN2GPR119TSHR

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 4437/4885USP2 1248/4885SMN1; SMN2 4588/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA CYP2D6 1969/4885USP2 3475/4885SMN1; 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.