SCHEMBL346172

SCHEMBL346172

O=C(NCCC1CCN(c2ccc3cc(Cl)ccc3n2)CC1)OCc1nnc(-c2ccc(F)cc2)o1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
MAPT P10636 3/20 0.37
MCHR1 Q99705 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
PIP4K2A P48426 1/20 0.36
SCD O00767 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CHRM4 P08173 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 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
SCHEMBL346157 0.95 MAPT (0.41) HRH3MAPTMCHR1PDE10AMEN1
SCHEMBL344198 0.91 SMN1; SMN2 (0.40) HRH3MAPTMCHR1MEN1KMT2A
SCHEMBL344021 0.87 HRH3 (0.40) HRH3MAPTMCHR1PDE10AMEN1
SCHEMBL345765 0.82 HRH3 (0.41) HRH3MAPTMCHR1PDE10ARAB9A
SCHEMBL345725 0.81 GRM5 (0.38) HRH3PDE10AKMT2ACHRM4
SCHEMBL344986 0.79 SMN1; SMN2 (0.40) HRH3MAPTMCHR1PDE10AMEN1
SCHEMBL344433 0.78 HRH3 (0.41) HRH3MCHR1PDE10ASCDCHRM4
SCHEMBL344703 0.78 HRH3 (0.41) HRH3MCHR1PDE10ASCDCHRM4
SCHEMBL239896 0.78 HRH3 (0.46) HRH3MCHR1PDE10ASCDCHRM4
SCHEMBL345070 0.77 HRH3 (0.39) HRH3MCHR1PDE10ASCDCHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
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 HRH3 50/4885MAPT 4026/4885MCHR1 3179/4885

“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.