SCHEMBL345098

SCHEMBL345098

CNC(=O)c1cc(CN(CC2CCN(c3nnc(Cl)c4ccccc34)C2)C(=O)O)on1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
RBP4 P02753 1/20 0.34
RIPK1 Q13546 6/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GFER P55789 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL345397 0.84 MEN1 (0.38) SCDSCD5RIPK1POLBMEN1
SCHEMBL345321 0.80 RBP4 (0.39) RBP4
SCHEMBL345161 0.74 MEN1 (0.36) MEN1KMT2AGFER
SCHEMBL15662150 0.72 MEN1 (0.47) MEN1KMT2AGFER
Hydrochloric Acid SCHEMBL345732 0.70 SMYD3 (0.38) RIPK1NPC1RAB9ASMN1; SMN2
SCHEMBL346479 0.68 TSHR (0.42) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL9993658 0.67 HRH3 (0.38) RIPK1
SCHEMBL16162195 0.67 MEN1 (0.51) MEN1KMT2AGFER
SCHEMBL345182 0.66 CHRM4 (0.45) RBP4MEN1KMT2ASMN1; SMN2
SCHEMBL1267034 0.65 MEN1 (0.52) MEN1KMT2AGFER

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 SCD 4792/4885SCD5 4185/4885RBP4 2582/4885

“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.