SCHEMBL4636596

SCHEMBL4636596

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.53
MAPT P10636 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
MMP2 P08253 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKLR P30613 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 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
SCHEMBL2060101 0.86 PKM (0.56) PKMMAPTCYP3A4CYP2C19MEN1
SCHEMBL66579 0.83 MAPT (0.49) PKMMAPTCYP3A4CYP2C19MEN1
SCHEMBL4635774 0.83 ALDH1A1 (0.47) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL4635004 0.83 PKM (0.56) PKMCYP2C19MEN1KMT2AALDH1A1
SCHEMBL7904364 0.82 CYP2C9 (0.52) PKMMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4635235 0.82 PKM (0.49) PKMMAPTCYP3A4CYP2C19MEN1
SCHEMBL4636703 0.82 ALDH1A1 (0.51) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4635799 0.79 PAX8 (0.50) PKMCYP3A4CYP2C19ALDH1A1L3MBTL1
SCHEMBL4669908 0.79 HSD11B1 (0.62) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL14153169 0.79 PKM (0.56) PKMMAPTCYP3A4CYP2C19MEN1

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 PKM 1070/4885MAPT 4767/4885CYP3A4 215/4885

“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.