SCHEMBL345328

SCHEMBL345328

CC(C)(C)Cc1ccc(N2CCC(CCN)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
ENPP1 P22413 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
DGAT1 O75907 1/20 0.38
AOC3 Q16853 4/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 1/20 0.36
MAPT P10636 1/20 0.36
CHRM4 P08173 3/20 0.36
ENPP2 Q13822 1/20 0.35
TNF P01375 1/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL345439 0.83 ENPP2 (0.45) PTPN11ENPP1GPR119DGAT1AOC3
SCHEMBL12561747 0.80 AOC3 (0.50) AOC3CYP11B1CYP11B2LMNAKDM4E
SCHEMBL15662802 0.80 CHRM4 (0.50) LMNAMAPTCHRM4SMN1; SMN2
SCHEMBL19821669 0.79 AOC3 (0.51) AOC3CYP11B1CYP11B2LMNAMAPT
SCHEMBL345209 0.78 PDE10A (0.49) PTPN11ENPP1ROCK2ROCK1CDC42BPB
SCHEMBL18924316 0.77 HTR3A (0.45) AOC3CYP11B1CYP11B2HRH3SMN1; SMN2
SCHEMBL14903597 0.76 CYP11B1 (0.60) AOC3CYP11B1CYP11B2LMNAKDM4E
SCHEMBL21934609 0.76 CYP11B1 (0.41) GPR119AOC3CYP11B1CYP11B2MAPT
SCHEMBL23891926 0.75 JAK2 (0.40) PTPN11GPR119AOC3CYP11B1CYP11B2
SCHEMBL21933955 0.74 HRH3 (0.48) AOC3CYP11B1CYP11B2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
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 PTPN11 1433/4885ENPP1 2936/4885GPR119 518/4885

“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.