SCHEMBL345725

SCHEMBL345725

O=C(NCCC1CCN(c2ccc3cc(Cl)ccc3n2)CC1)OCc1nc(-c2cccc(F)c2)no1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 1/20 0.38
ACLY P53396 1/20 0.37
KMT2A Q03164 1/20 0.36
CHRM4 P08173 2/20 0.36
FFAR1 O14842 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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 0.92 HRH3 (0.40) HRH3KMT2ACHRM4FFAR1PDE10A
SCHEMBL345765 0.91 HRH3 (0.41) HRH3FFAR1PDE10A
SCHEMBL346172 0.81 HRH3 (0.37) HRH3KMT2ACHRM4PDE10A
SCHEMBL344703 0.79 HRH3 (0.41) HRH3KCNH2CHRM4PDE10A
SCHEMBL344986 0.79 SMN1; SMN2 (0.40) HRH3KCNH2KMT2APDE10A
SCHEMBL346157 0.79 MAPT (0.41) HRH3KMT2APDE10A
SCHEMBL345180 0.79 ACACB (0.41) KCNH2
SCHEMBL344784 0.78 HRH3 (0.41) HRH3KCNH2PDE10A
SCHEMBL345825 0.77 HRH3 (0.39) HRH3KCNH2CHRM4PDE10A
SCHEMBL345081 0.77 ACACB (0.41) HRH3KCNH2KMT2APDE10A

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 GRM5 368/4885HRH3 50/4885KCNH2 468/4885

“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.