SCHEMBL345775

SCHEMBL345775

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
SCD O00767 2/20 0.37
SCN9A Q15858 4/20 0.37
MCHR1 Q99705 3/20 0.34
CHRM4 P08173 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EED O75530 1/20 0.32
DGAT1 O75907 1/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL345653 0.90 CKS1B (0.41) CKS1BSKP1SKP2SCDMCHR1
SCHEMBL346479 0.75 TSHR (0.42) MCHR1CHRM4NPC1RAB9ASMN1; SMN2
SCHEMBL346219 0.74 CHRM4 (0.45) CHRM4HDAC6
SCHEMBL1727605 0.73 DGAT1 (0.44) CKS1BSKP1SKP2SCDMCHR1
SCHEMBL2328595 0.72 CHRM4 (0.51) CKS1BSKP1SKP2SCDCHRM4
SCHEMBL8510755 0.72 AOC3 (0.35) SCDSCN9AMCHR1HTR2ADRD3
SCHEMBL8510749 0.72 AOC3 (0.35) SCDSCN9AMCHR1HTR2ADRD3
SCHEMBL2406938 0.71 DGAT1 (0.39) CKS1BSKP1SKP2SCDMCHR1
SCHEMBL25435089 0.70 AKR1C3 (0.32) CHRM4
SCHEMBL8512856 0.70 AKR1C3 (0.32) CHRM4

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.