SCHEMBL345635

SCHEMBL345635

CC(C)c1nc(CN(CC2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C(=O)O)no1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HTR1A P08908 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SLC6A9 P48067 2/20 0.36
HSP90AA1 P07900 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
LMNA P02545 2/20 0.35
SLC6A5 Q9Y345 1/20 0.35
PDE6D O43924 1/20 0.35

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
SCHEMBL345634 0.81 HTR7 (0.41) HTR7MAPTHTTHTR1AALDH1A1
SCHEMBL345636 0.81 HTR7 (0.41) HTR7MAPTHTTHTR1AALDH1A1
SCHEMBL2360963 0.72 HTT (0.54) HTR7MAPTHTTHTR1AALDH1A1
SCHEMBL2360964 0.72 HTT (0.54) HTR7MAPTHTTHTR1AALDH1A1
SCHEMBL345426 0.71 HTR7 (0.43) HTR7MAPTHTTHTR1AALDH1A1
SCHEMBL345427 0.71 HTR7 (0.43) HTR7MAPTHTTHTR1AALDH1A1
SCHEMBL31439298 0.71 MAPT (0.52) HTR7MAPTHTTHTR1AALDH1A1
SCHEMBL2360962 0.70 MAPT (0.52) HTR7MAPTHTTHTR1AALDH1A1
SCHEMBL25176085 0.69 MAPT (0.48) HTR7MAPTHTTHTR1AALDH1A1
SCHEMBL21245790 0.68 HTT (0.50) HTR7MAPTHTTHTR1AALDH1A1

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 HTR7 458/4885MAPT 4026/4885HTT 2569/4885

“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.