SCHEMBL344433

SCHEMBL344433

O=C(NCCC1CCN(c2ccc3cc(Cl)ccc3n2)CC1)OCc1csnn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
CHRM4 P08173 2/20 0.41
PDE10A Q9Y233 2/20 0.40
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
SCD O00767 2/20 0.39
SUV39H2 Q9H5I1 2/20 0.37
MCHR1 Q99705 1/20 0.37
ACACB O00763 3/20 0.36
ACACA Q13085 2/20 0.35
KCNH2 Q12809 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
ENPP2 Q13822 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL239896 0.82 HRH3 (0.46) HRH3CHRM4PDE10AHTR3AHRH4
SCHEMBL3268724 0.80 FAAH (0.45) HRH3CHRM4PDE10AHTR3AHRH4
SCHEMBL344703 0.80 HRH3 (0.41) HRH3CHRM4PDE10AHTR3AHRH4
SCHEMBL345070 0.80 HRH3 (0.39) HRH3CHRM4PDE10AHTR3AHRH4
SCHEMBL346157 0.80 MAPT (0.41) HRH3PDE10AHTR3AHRH4SCD
SCHEMBL345722 0.80 HTR3A (0.42) HRH3CHRM4PDE10AHTR3AHRH4
SCHEMBL344784 0.80 HRH3 (0.41) HRH3PDE10AHTR3AHRH4SCD
SCHEMBL346050 0.79 HRH3 (0.56) HRH3CHRM4PDE10AHTR3AHRH4
SCHEMBL345825 0.78 HRH3 (0.39) HRH3CHRM4PDE10AHTR3AHRH4
SCHEMBL345765 0.78 HRH3 (0.41) HRH3PDE10AHTR3AHRH4MCHR1

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 50/4885CHRM4 1210/4885PDE10A 1799/4885

“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.