SCHEMBL370901

SCHEMBL370901

CC(C)(C)OC(=O)NCCC1CCN(c2ccc3cc(F)ccc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 4/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
ACACB O00763 7/20 0.48
ACACA Q13085 7/20 0.48
PDE10A Q9Y233 2/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
PDE2A O00408 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
BRD4 O60885 1/20 0.43
CHRM4 P08173 1/20 0.41

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
SCHEMBL345345 0.86 HRH3 (0.50) PDE10APDE2AHRH3CHRM4
SCHEMBL22499904 0.80 PDE10A (0.58) SUV39H2PDE10ACKS1BSKP1SKP2
SCHEMBL29689781 0.80 PDE10A (0.58) SUV39H2PDE10ACKS1BSKP1SKP2
SCHEMBL2405732 0.80 PDE10A (0.40) ACACBACACAPDE10APDE2AHRH3
SCHEMBL345088 0.80 PDE10A (0.44) ACACBACACAPDE10APDE2AHRH3
SCHEMBL345436 0.79 PDE10A (0.40) SIRT2SIRT1SIRT3ACACBACACA
SCHEMBL1722961 0.79 PDE10A (0.48) PDE10APDE2AHRH3CHRM4
SCHEMBL345206 0.76 PDE10A (0.53) PDE10APDE2AHRH3
SCHEMBL1729968 0.75 HRH3 (0.58) ACACBHRH3CHRM4
SCHEMBL346471 0.75 CHRM4 (0.52) SUV39H2SIRT2SIRT1SIRT3ACACB

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 SUV39H2 2182/4885SIRT2 543/4885SIRT1 737/4885

“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.