SCHEMBL345765

SCHEMBL345765

O=C(NCCC1CCN(c2ccc3cc(Cl)ccc3n2)CC1)OCc1nc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MCHR1 Q99705 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE10A Q9Y233 1/20 0.39
FFAR1 O14842 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MITF O75030 1/20 0.37

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
SCHEMBL344021 0.95 HRH3 (0.40) HRH3HTTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL345725 0.91 GRM5 (0.38) HRH3PDE10AFFAR1
SCHEMBL344986 0.86 SMN1; SMN2 (0.40) HRH3HTTSMN1; SMN2ALDH1A1MCHR1
SCHEMBL346157 0.86 MAPT (0.41) HRH3HTTSMN1; SMN2ALDH1A1MCHR1
SCHEMBL344703 0.83 HRH3 (0.41) HRH3MCHR1PDE10AHTR3AHRH4
SCHEMBL344784 0.83 HRH3 (0.41) HRH3MCHR1PDE10AHTR3AHRH4
SCHEMBL346172 0.82 HRH3 (0.37) HRH3MCHR1PDE10AMAPTRAB9A
SCHEMBL345825 0.81 HRH3 (0.39) HRH3ALDH1A1MCHR1MAPK1PDE10A
SCHEMBL345070 0.81 HRH3 (0.39) HRH3MCHR1PDE10AHTR3AHRH4
SCHEMBL344198 0.81 SMN1; SMN2 (0.40) HRH3HTTSMN1; SMN2ALDH1A1MCHR1

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 50/4885HTT 2569/4885SMN1; SMN2 3115/4885

“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.