SCHEMBL345653

SCHEMBL345653

CNC(=O)c1cc(CN(CCC2CCN(c3cnc(-c4ccc(F)cc4)cn3)CC2)C(=O)O)on1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 4/20 0.41
SKP1 P63208 4/20 0.41
SKP2 Q13309 4/20 0.41
SCD O00767 2/20 0.38
MCHR1 Q99705 5/20 0.36
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
CHRM4 P08173 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SMO Q99835 1/20 0.33
PDPK1 O15530 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
SCHEMBL345775 0.90 CKS1B (0.39) CKS1BSKP1SKP2SCDMCHR1
SCHEMBL346479 0.86 TSHR (0.42) MCHR1CHRM4HRH3
SCHEMBL345182 0.76 CHRM4 (0.45) CHRM2CHRM4HDAC6
SCHEMBL2328595 0.72 CHRM4 (0.51) CKS1BSKP1SKP2SCDCHRM2
SCHEMBL9993531 0.72 DGAT1 (0.34) SCDMCHR1
SCHEMBL8513298 0.71 CHRM4 (0.34) HDAC3HDAC2CHRM4HDAC10HDAC6
SCHEMBL8513303 0.71 CHRM4 (0.34) HDAC3HDAC2CHRM4HDAC10HDAC6
SCHEMBL345341 0.71 CHRM4 (0.42) CKS1BSKP1SKP2SCDCHRM4
SCHEMBL9994152 0.71 DGAT1 (0.37) SCDMCHR1HDAC3HDAC2
SCHEMBL8510771 0.70 SCD (0.35) SCDMCHR1HDAC3HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CKS1B 1161/4885SKP1 4281/4885SKP2 3646/4885

“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.