SCHEMBL4635202

SCHEMBL4635202

NC1C2CN(C(=O)c3cccc(Cl)c3)CC12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MGLL Q99685 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD11B1 P28845 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PARP1 P09874 1/20 0.49
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4635404 0.82 PLA2G7 (0.60) ALDH1A1MGLLCA12CA1CA2
SCHEMBL4635518 0.81 HSD17B10 (0.52) ALDH1A1MGLLCA12CA1CA2
SCHEMBL4636581 0.80 HPGD (0.59) PKMHSD11B1
SCHEMBL4635554 0.79 HPGD (0.44) MGLLPKMHSD11B1
SCHEMBL23775471 0.79 MGLL (0.67) ALDH1A1MGLLCA12CA1CA2
SCHEMBL11773926 0.79 ALDH1A1 (0.53) ALDH1A1MGLLCA12CA1CA2
SCHEMBL10726894 0.79 PKM (0.74) ALDH1A1MGLLCA12CA1CA2
SCHEMBL4635911 0.78 L3MBTL1 (0.59) ALDH1A1MGLLCA12CA1CA2
SCHEMBL11836713 0.78 CYP2D6 (0.58) ALDH1A1MGLLCA12CA1CA2
SCHEMBL4635509 0.77 KMT2A (0.55) ALDH1A1MGLLHSD11B1HSD17B10

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 891/4885MGLL 1184/4885CA12 313/4885

“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.