SCHEMBL2313997

SCHEMBL2313997

CCOC(C1=CCCC=C1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 2/20 0.36
SCN1A P35498 3/20 0.36
SCN2A Q99250 3/20 0.36
SCN3A Q9NY46 3/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 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
SCHEMBL3992907 0.75 SCN1A (0.55) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL22199538 0.72 SLC6A2 (0.35) KMT2ACYP1A2TSHRSLC6A2SLC6A4
SCHEMBL8288165 0.71 HTR2A (0.54) SLC6A2HTR2ASLC6A4HRH1SLC6A3
Dimethylamine SCHEMBL29198789 0.70 HTT (0.55) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL13177593 0.70 TAAR1 (0.43) KMT2ACYP2D6SLC6A2HTR2ASLC6A4
SCHEMBL9441022 0.69 DPP4 (0.38) LMNAADRA2AHTR2AKDM4E
Ethylene Glycol SCHEMBL27734001 0.69 HTT (0.49) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL17538380 0.68
SCHEMBL13700642 0.68 KDM4E (0.43) MEN1KMT2AALDH1A1LMNACHRM2
SCHEMBL13700569 0.68 KDM4E (0.43) MEN1KMT2AALDH1A1LMNACHRM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
EP-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 US disclosed
EP-2125782-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101905-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2008-08-28 WO 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-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES CYP2D6, CYP2B6, CYP2C9 MEN1 3026/4885KMT2A 1346/4885L3MBTL1 2325/4885

“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.