SCHEMBL10201616

SCHEMBL10201616

CC(C)(C)CN1CCC2(CCNCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP2D6 P10635 4/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 1/20 0.44
USP2 O75604 4/20 0.42
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL10201657 0.89 TSHR (0.50) TSHRCYP2C9CYP2C19MEN1ALDH1A1
SCHEMBL2695825 0.89 TSHR (0.54) TSHRCYP2C9CYP2C19MEN1ALDH1A1
SCHEMBL26455588 0.87 CYP2D6 (0.37) TSHRCYP2D6ALOX15CYP1A2
SCHEMBL24842172 0.85 CYP2D6 (0.36) TSHRCYP2D6ALOX15CYP1A2
SCHEMBL31288084 0.85 CYP2D6 (0.49) TSHRCYP2C9CYP2C19MEN1ALDH1A1
SCHEMBL29320457 0.82 TSHR (0.45) TSHRCYP2C9CYP2C19MEN1ALDH1A1
SCHEMBL22752339 0.82 TSHR (0.65) TSHRCYP2C9CYP2C19MEN1ALDH1A1
SCHEMBL21499012 0.82 TSHR (0.42) TSHRCYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL13656164 0.81 CYP2D6 (0.34) CYP2D6ALOX15CYP1A2
Hydrochloric Acid SCHEMBL31097578 0.81 TSHR (0.46) TSHRCYP2C9CYP2C19MEN1ALDH1A1

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
US-20240254115-A1 New Pyridine-Sulfonamide Derivatives as Sigma Ligands ACONDICIONAMIENTO TARRASENSE (ES) 2024-08-01 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-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 (3 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 2295/4885CYP2C9 4141/4885CYP2C19 3403/4885
US-20240254115-A1 New Pyridine-Sulfonamide Derivatives as Sigma Ligands SIGMAR1, TMEM97, OPRD1 TSHR 540/4885CYP2C9 707/4885CYP2C19 501/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA TSHR 990/4885CYP2C9 2778/4885CYP2C19 1442/4885

“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.