SCHEMBL345771

SCHEMBL345771

CNC(=O)c1cc(CN(CCC2(CC(C)C)CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C(=O)O)on1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
HTR7 P34969 2/20 0.34
SLC6A9 P48067 2/20 0.33
WDR5 P61964 1/20 0.33
POLB P06746 2/20 0.32
CCR6 P51684 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL345772 1.00 MAPT (0.35) MAPTHTR7SLC6A9WDR5POLB
SCHEMBL345426 0.79 HTR7 (0.43) MAPTHTR7SLC6A9WDR5SLC6A5
SCHEMBL345427 0.79 HTR7 (0.43) MAPTHTR7SLC6A9WDR5SLC6A5
SCHEMBL2331165 0.76 MAPT (0.42) MAPTHTR7SLC6A9WDR5ALDH1A1
SCHEMBL15662852 0.76 MAPT (0.42) MAPTHTR7SLC6A9WDR5ALDH1A1
SCHEMBL345257 0.71 PKM (0.35) ALDH1A1KMT2A
SCHEMBL345630 0.69 PKM (0.36) ALDH1A1
SCHEMBL345792 0.68 PKM (0.36) ALDH1A1
SCHEMBL345635 0.67 HTR7 (0.40) MAPTHTR7SLC6A9POLBSLC6A5
SCHEMBL16305327 0.65 PDE3B (0.47) HTR7SLC6A9WDR5SLC6A5ALDH1A1

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 MAPT 4026/4885HTR7 458/4885SLC6A9 97/4885

“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.