SCHEMBL345321

SCHEMBL345321

CNC(=O)c1cc(CN(CC2CCN(c3nccc(Cl)n3)C2)C(=O)O)on1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 10/20 0.39
TTR P02766 5/20 0.36
SCN9A Q15858 3/20 0.35
PANK3 Q9H999 1/20 0.33
EGFR P00533 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ACACB O00763 1/20 0.33
DKK1 O94907 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
SCHEMBL345098 0.80 SCD (0.35) RBP4
SCHEMBL345182 0.77 CHRM4 (0.45) RBP4TTRGPBAR1KDM4EACACB
SCHEMBL344848 0.74 ACACB (0.38) RBP4ACACB
SCHEMBL345166 0.72 CHRM4 (0.43) RBP4TTRGPBAR1KDM4EACACB
SCHEMBL345643 0.70 HDAC6 (0.38) KDM4EACACB
SCHEMBL9993658 0.70 HRH3 (0.38) ACACB
SCHEMBL2329427 0.70 GPBAR1 (0.44) RBP4TTRPANK3GPBAR1KDM4E
Hydrochloric Acid SCHEMBL345732 0.70 SMYD3 (0.38)
SCHEMBL345792 0.69 PKM (0.36) RBP4KDM4E
SCHEMBL345630 0.69 PKM (0.36) KDM4EACACB

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 RBP4 2582/4885TTR 1490/4885SCN9A 7/4885

“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.