SCHEMBL346526

SCHEMBL346526

CCOC(=O)C(C#N)C1(CC(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
JAK2 O60674 6/20 0.36
JAK1 P23458 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
GAA P10253 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL346283 0.90 SMN1; SMN2 (0.38) HTTATMJAK2JAK1SMN1; SMN2
SCHEMBL345670 0.84 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL4977345 0.83 SMN1; SMN2 (0.38) JAK2JAK1SMN1; SMN2USP2CTSK
SCHEMBL19397229 0.79 USP2 (0.45) HTTATMSMN1; SMN2USP2ALDH1A1
SCHEMBL16553695 0.78 ALDH1A1 (0.40) ATMJAK1SMN1; SMN2CTSKALDH1A1
SCHEMBL14085878 0.77 ALDH1A1 (0.42) ATMJAK1SMN1; SMN2CTSKALDH1A1
SCHEMBL3530835 0.76 GPR119 (0.42) JAK2JAK1KMT2AGPR119
SCHEMBL4407528 0.76 TSHR (0.47) ATMJAK2JAK1TSHRALOX15
SCHEMBL3526640 0.76 NPC1 (0.44) HTTATMJAK2JAK1ALDH1A1
SCHEMBL398929 0.76 PKLR (0.42) SMN1; SMN2USP2ALDH1A1MEN1MAPT

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 HTT 2569/4885ATM 3694/4885JAK2 2008/4885

“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.