SCHEMBL345184

SCHEMBL345184

CC(C)(C)N(CCC1CCN(c2ccc3cc(Cl)ccc3n2)CC1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.52
HRH3 Q9Y5N1 3/20 0.50
HTR3A P46098 2/20 0.50
HRH4 Q9H3N8 1/20 0.50
HTR1A P08908 1/20 0.41
ACACB O00763 2/20 0.40
DGAT1 O75907 1/20 0.40
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.39
ACACA Q13085 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL1727924 0.82 HRH3 (0.48) PDE10AHRH3HTR3AHRH4HTR1A
SCHEMBL1729306 0.82 HRH3 (0.46) PDE10AHRH3HTR3AHRH4HTR1A
SCHEMBL239841 0.80 HRH3 (0.61) PDE10AHRH3HTR3AHRH4HTR1A
SCHEMBL1711326 0.80 HTR3A (0.53) PDE10AHRH3HTR3AHRH4HTR1A
SCHEMBL346050 0.80 HRH3 (0.56) PDE10AHRH3HTR3AHRH4HTR1A
SCHEMBL2407749 0.78 HRH3 (0.42) PDE10AHRH3HTR3AHRH4HTR1A
SCHEMBL345053 0.78 HRH3 (0.61) PDE10AHRH3HTR3AHRH4HTR1A
SCHEMBL1728851 0.78 HRH3 (0.58) PDE10AHRH3HTR3AHRH4HTR1A
SCHEMBL27829234 0.77 HRH3 (0.47) PDE10AHRH3HTR3AHRH4HTR1A
SCHEMBL239117 0.77 HRH3 (0.52) PDE10AHRH3HTR3AHRH4HTR1A

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 PDE10A 1799/4885HRH3 50/4885HTR3A 2763/4885

“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.