SCHEMBL4635309

SCHEMBL4635309

COc1cccc(OC)c1C(=O)N1CC2C(N)C2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
HCRTR1 O43613 7/20 0.53
HCRTR2 O43614 7/20 0.53
GAA P10253 3/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL3659238 0.79 SMN1; SMN2 (0.58) SMN1; SMN2HCRTR1HCRTR2GAAKDM4E
SCHEMBL4239065 0.79 SMN1; SMN2 (0.58) SMN1; SMN2HCRTR1HCRTR2GAAKDM4E
SCHEMBL1672960 0.78 SMN1; SMN2 (0.63) SMN1; SMN2HCRTR1HCRTR2GAA
SCHEMBL4247016 0.77 SMN1; SMN2 (0.56) SMN1; SMN2HCRTR1HCRTR2GAAKDM4E
SCHEMBL3661898 0.77 SMN1; SMN2 (0.56) SMN1; SMN2HCRTR1HCRTR2GAAKDM4E
SCHEMBL4635455 0.76 LMNA (0.57) HCRTR1HCRTR2KDM4EALDH1A1TSHR
SCHEMBL29944122 0.74 KMT2A (0.63) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL4635934 0.74 CHRNB2 (0.62) SMN1; SMN2GAAALDH1A1HPGDLMNA
SCHEMBL597286 0.72 GAA (0.57) SMN1; SMN2HCRTR1HCRTR2GAAKDM4E
SCHEMBL1671620 0.70 HCRTR1 (1.00) HCRTR1HCRTR2

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 SMN1; SMN2 4580/4885HCRTR1 1802/4885HCRTR2 1658/4885

“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.