SCHEMBL4436738

SCHEMBL4436738

O=C1CCC(Cc2cccc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
NR3C1 P04150 1/20 0.43
PNMT P11086 1/20 0.43
HSD17B2 P37059 1/20 0.43
EPHX2 P34913 1/20 0.42
CCR3 P51677 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL1119533 0.86 ALDH1A1 (0.61) GLAALDH1A1MAPTKDM4EGAA
SCHEMBL8634508 0.82 ALDH1A1 (0.36) GLAALDH1A1MAPTKDM4EGAA
SCHEMBL2199688 0.81 ALDH1A1 (0.54) GLAALDH1A1MAPTKDM4EGAA
SCHEMBL6785682 0.79 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2ASLC6A2
SCHEMBL5675291 0.78 GBA1 (0.57) ALDH1A1CCR3SIGMAR1
SCHEMBL13504025 0.78 ALDH1A1 (0.54) GLAALDH1A1MAPTKDM4EGAA
SCHEMBL3166228 0.78 GBA1 (0.62) GLAALDH1A1MAPTKDM4EGAA
SCHEMBL12404400 0.78 ALDH1A1 (0.54) GLAALDH1A1MAPTKDM4EGAA
SCHEMBL2166488 0.78 ALDH1A1 (0.54) GLAALDH1A1MAPTKDM4EGAA
SCHEMBL5404683 0.77 GLA (0.51) GLAALDH1A1MAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
CN-101610761-A 1-amino methyl-L-phenyl-cyclohexane-derivant as the DDP-IV inhibitor NOVARTIS AG (CH) 2009-12-23 CN disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 GLA 314/4885ALDH1A1 304/4885MAPT 3625/4885

“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.