SCHEMBL4635076

SCHEMBL4635076

CC(=O)c1ccc(C(=O)N2CC3C(N)C3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
L3MBTL3 Q96JM7 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAOA P21397 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4636574 0.86 PKM (0.56) HSD11B1GAAALDH1A1HPGDPKM
SCHEMBL4636528 0.83 TSHR (0.54) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL4635067 0.83 HSD11B1 (0.51) HSD11B1GAAALDH1A1NPC1L3MBTL1
SCHEMBL4635518 0.83 HSD17B10 (0.52) ALDH1A1HPGDMEN1KMT2A
SCHEMBL4894757 0.82 MEN1 (0.58) ALDH1A1HPGDMEN1KMT2A
SCHEMBL4635047 0.82 ALDH1A1 (0.46) PLA2G1BATG4BGAAALDH1A1HPGD
SCHEMBL4635934 0.82 CHRNB2 (0.62) GAAALDH1A1HPGDCHRNB2CHRNB4
SCHEMBL4635281 0.80 HPGD (0.58) HSD11B1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4895486 0.79 NPC1 (0.51) ALDH1A1NPC1L3MBTL1MEN1KMT2A
SCHEMBL4635406 0.79 MEN1 (0.58) HSD11B1GAAHPGDMEN1KMT2A

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 HSD11B1 251/4885PLA2G1B 2000/4885ATG4B 361/4885

“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.