SCHEMBL346527

SCHEMBL346527

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 7/20 0.35
JAK1 P23458 7/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 1/20 0.34
GPR119 Q8TDV5 6/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL346284 0.88 MEN1 (0.37) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL345671 0.85
SCHEMBL346528 0.82 TSHR (0.36) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL345712 0.81 JAK2 (0.42) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL2201081 0.76 MEN1 (0.44) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL21851983 0.76 USP2 (0.44) ALDH1A1MAPTUSP2SMN1; SMN2ALOX15
SCHEMBL1821374 0.74 USP2 (0.42) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL3494375 0.73 SMN1; SMN2 (0.47) MEN1ALDH1A1KMT2AUSP2SMN1; SMN2
SCHEMBL4278207 0.73 USP2 (0.46) ALDH1A1MAPTUSP2SMN1; SMN2ALOX15
SCHEMBL345212 0.73 USP2 (0.41) ALDH1A1MAPTUSP2SMN1; SMN2GPR119

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 MEN1 812/4885ALDH1A1 2486/4885MAPT 4026/4885

“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.