SCHEMBL10201657

SCHEMBL10201657

CC(C)(C)CN1CCC2(CCNCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
ALDH1A1 P00352 4/20 0.40
CYP2C19 P33261 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 1/20 0.40
CYP2D6 P10635 10/20 0.40
CYP3A4 P08684 4/20 0.39
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL31097584 0.89 CYP2D6 (0.51) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL22752339 0.89 TSHR (0.65) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL10201616 0.89 TSHR (0.46) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL18385740 0.86 TSHR (0.36) TSHRKDM1AMAOBRCOR1CYP2D6
SCHEMBL26455582 0.86 TSHR (0.36) TSHRKDM1AMAOBRCOR1CYP2D6
SCHEMBL2695825 0.81 TSHR (0.54) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL12228921 0.81 TSHR (0.33) TSHRCYP2D6ALOX15
SCHEMBL19962318 0.81 HSD11B1 (0.36) TSHRCYP2C19MEN1KMT2ACYP2C9
SCHEMBL15112737 0.80 TSHR (0.53) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL24411696 0.79 GRIN2D (0.34) TSHR

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
EP-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 EP 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-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 TSHR 2295/4885KDM1A 1261/4885MAOB 3878/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA TSHR 990/4885KDM1A 1231/4885MAOB 4261/4885

“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.