SCHEMBL345082

SCHEMBL345082

CCOC(=O)c1cc(COC(=O)N(CC)C2CCN(c3ccc4cc(Cl)ccc4n3)CC2)on1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
HRH3 Q9Y5N1 3/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HTR1A P08908 1/20 0.39
KCNH2 Q12809 2/20 0.38
PDE10A Q9Y233 2/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MCHR1 Q99705 1/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL2327833 0.92 HRH3 (0.41) F10HRH3HTR3AHRH4HTR1A
SCHEMBL345081 0.82 ACACB (0.41) HRH3HTR3AHRH4HTR1AKCNH2
SCHEMBL345077 0.78 HTR3A (0.39) HRH3HTR3AHRH4KCNH2MAPT
SCHEMBL1711326 0.77 HTR3A (0.53) F10HRH3HTR3AHRH4HTR1A
SCHEMBL346022 0.73 HRH3 (0.39) HRH3HTR3AHRH4KCNH2PDE10A
SCHEMBL344108 0.73 ALDH1A1 (0.43) F10HRH3HTR3AHRH4HTR1A
SCHEMBL344703 0.72 HRH3 (0.41) HRH3HTR3AHRH4HTR1AKCNH2
SCHEMBL345825 0.72 HRH3 (0.39) HRH3HTR3AHRH4KCNH2PDE10A
SCHEMBL344784 0.71 HRH3 (0.41) HRH3HTR3AHRH4KCNH2PDE10A
SCHEMBL345078 0.71 L3MBTL1 (0.34) HRH3KCNH2MAPTLMNARAB9A

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 F10 1115/4885HRH3 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.