SCHEMBL345712

SCHEMBL345712

CC(C)CC1(CC#N)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.42
JAK1 P23458 16/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL16987073 0.85 JAK2 (0.44) JAK2JAK1MEN1ALDH1A1MAPT
SCHEMBL345355 0.85 JAK2 (0.44) JAK2JAK1MEN1ALDH1A1MAPT
SCHEMBL21851983 0.83 USP2 (0.44) ALDH1A1MAPTUSP2SMN1; SMN2
SCHEMBL346527 0.81 MEN1 (0.35) JAK2JAK1MEN1ALDH1A1MAPT
SCHEMBL1821374 0.81 USP2 (0.42) JAK2JAK1MEN1ALDH1A1MAPT
SCHEMBL346528 0.81 TSHR (0.36) JAK2JAK1MEN1ALDH1A1MAPT
SCHEMBL3493297 0.81 JAK2 (0.41) JAK2JAK1MEN1ALDH1A1MAPT
SCHEMBL346276 0.80 CTSS (0.32) JAK2JAK1
SCHEMBL345212 0.80 USP2 (0.41) ALDH1A1MAPTUSP2SMN1; SMN2
SCHEMBL344867 0.79 JAK2 (0.45) JAK2JAK1MEN1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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 (1 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A JAK2 2008/4885JAK1 1884/4885MEN1 812/4885

“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.