SCHEMBL4635549

SCHEMBL4635549

N#Cc1ccc(C(=O)N2CC3C(N)C3C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
KCNA5 P22460 1/20 0.46
EPHX2 P34913 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
KDM1A O60341 10/20 0.46
SLC6A7 Q99884 1/20 0.45
PAX8 Q06710 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GPR183 P32249 1/20 0.43

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
SCHEMBL30937190 0.82 ALDH1A1 (0.69) ALDH1A1EPHX2PDK1PDK2PDK3
SCHEMBL5391493 0.79 KDM1A (0.67) KDM1A
SCHEMBL4636574 0.79 PKM (0.56) ALDH1A1KCNA5
SCHEMBL4635518 0.79 HSD17B10 (0.52) ALDH1A1CA1CA2
SCHEMBL4635076 0.79 HSD11B1 (0.46) ALDH1A1
SCHEMBL4635067 0.79 HSD11B1 (0.51) ALDH1A1PAX8CA1CA2
SCHEMBL10215017 0.78 KDM1A (0.66) ALDH1A1EPHX2PDK1PDK2PDK3
SCHEMBL17319228 0.78 ALDH1A1 (1.00) ALDH1A1EPHX2PDK1PDK2PDK3
SCHEMBL21485438 0.78 ALDH1A1 (0.64) ALDH1A1KCNA5EPHX2PDK1PDK2
SCHEMBL4892280 0.78 NAMPT (0.58) EPHX2CA1CA2

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 ALDH1A1 891/4885KCNA5 700/4885EPHX2 1251/4885

“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.