SCHEMBL4635774

SCHEMBL4635774

NC1C2CN(S(=O)(=O)c3ccc(Br)cc3)CC12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MMP2 P08253 1/20 0.46
GLA P06280 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
GHSR Q92847 1/20 0.41
EPHX2 P34913 1/20 0.41
GPR183 P32249 1/20 0.40

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
SCHEMBL4636596 0.83 PKM (0.53) ALDH1A1MMP2LMNATSHRHTT
SCHEMBL4635004 0.83 PKM (0.56) ALDH1A1LMNATSHRHTTCYP2C19
SCHEMBL7904364 0.82 CYP2C9 (0.52) ALDH1A1LMNACYP2D6CYP2C9MEN1
SCHEMBL4635799 0.79 PAX8 (0.50) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4636703 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AEPHX2
SCHEMBL4669908 0.79 HSD11B1 (0.62) ALDH1A1LMNACYP3A4CYP2C19MEN1
SCHEMBL16125047 0.79 MEN1 (0.60) ALDH1A1MMP2GLALMNATSHR
SCHEMBL16129185 0.79 MMP2 (0.49) ALDH1A1MMP2GLALMNATSHR
SCHEMBL18498840 0.79 ALDH1A1 (0.49) ALDH1A1MMP2GLALMNATSHR
SCHEMBL18498824 0.79 ALDH1A1 (0.49) ALDH1A1MMP2GLALMNATSHR

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 891/4885MMP2 153/4885GLA 2356/4885

“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.