SCHEMBL4635777

SCHEMBL4635777

Cc1cc(C(=O)N2CC3C(N)C3C2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.43
PDE2A O00408 3/20 0.43
TP53 P04637 1/20 0.43
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
HTR7 P34969 2/20 0.39
HSD11B1 P28845 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM1A O60341 1/20 0.39
TSHR P16473 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4635509 0.87 KMT2A (0.55) KMT2AMEN1ALDH1A1HPGDPDE2A
SCHEMBL4635554 0.83 HPGD (0.44) KMT2AMEN1HPGDPDE2AHSD11B1
SCHEMBL4635417 0.81 TAS1R3 (0.44) KMT2AMEN1PDE2AHSD11B1KDM1A
SCHEMBL13727031 0.80 KMT2A (0.44) KMT2AMEN1ALDH1A1HPGDPDE2A
SCHEMBL4635067 0.79 HSD11B1 (0.51) KMT2AMEN1ALDH1A1HSD11B1
SCHEMBL4636574 0.79 PKM (0.56) KMT2AMEN1ALDH1A1HPGDHSD11B1
SCHEMBL4635078 0.78 KDM1A (0.48) KMT2AMEN1HPGDHSD11B1KDM1A
SCHEMBL24746291 0.77 HPGD (0.58) KMT2AMEN1ALDH1A1HPGDPDE2A
SCHEMBL4635474 0.77 CES2 (0.42) KMT2AMEN1ALDH1A1HPGDPDE2A
SCHEMBL24746292 0.77 HPGD (0.62) KMT2AMEN1ALDH1A1HPGDPDE2A

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 KMT2A 1521/4885MEN1 1373/4885ALDH1A1 891/4885

“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.