SCHEMBL4636036

SCHEMBL4636036

N#Cc1c(Cl)cccc1N1CC2C(N)C2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
GAA P10253 2/20 0.56
DPP4 P27487 2/20 0.47
DPP9 Q86TI2 2/20 0.47
PREP P48147 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTPN11 Q06124 2/20 0.39
NOTUM Q6P988 1/20 0.39
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
AADAT Q8N5Z0 1/20 0.36
KDM1A O60341 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL4635272 0.82 KDM4E (0.57) KDM4EALDH1A1L3MBTL1GAADPP4
SCHEMBL4635182 0.78 DPP4 (0.50) KDM4EALDH1A1L3MBTL1GAADPP4
SCHEMBL4635979 0.76 GRM1 (0.44) KDM4EALDH1A1DPP4DPP9DPP7
SCHEMBL21486448 0.76 KDM4E (1.00) KDM4EALDH1A1L3MBTL1GAACYP1A2
SCHEMBL4635559 0.73 DPP4 (0.47) KDM4EALDH1A1L3MBTL1DPP4DPP9
SCHEMBL25003289 0.72 ALDH1A1 (0.73) KDM4EALDH1A1L3MBTL1GAACYP1A2
SCHEMBL14355754 0.72 KDM4E (0.73) KDM4EALDH1A1L3MBTL1GAACYP1A2
SCHEMBL30839768 0.72 ALDH1A1 (0.73) KDM4EALDH1A1L3MBTL1GAACYP1A2
Hydrochloric Acid SCHEMBL27237960 0.71 ALDH1A1 (0.71) KDM4EALDH1A1L3MBTL1GAACYP1A2
SCHEMBL2557367 0.71 GAA (0.70) KDM4EALDH1A1L3MBTL1GAANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2008-12-04 US disclosed
EP-1931633-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007029086-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 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-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP8 KDM4E 227/4885ALDH1A1 891/4885L3MBTL1 3704/4885

“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.