SCHEMBL4636581

SCHEMBL4636581

NC1C2CN(C(=O)c3ccc(Cl)c(Cl)c3)CC12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
PKM P14618 1/20 0.55
HSD11B1 P28845 1/20 0.49
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
KLKB1 P03952 1/20 0.43
ELANE P08246 1/20 0.43
POLB P06746 1/20 0.42
LRRK2 Q5S007 1/20 0.42
KMO O15229 2/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
PGR P06401 1/20 0.41

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
SCHEMBL4635554 0.87 HPGD (0.44) HPGDPKMHSD11B1KMT2AMEN1
SCHEMBL4635518 0.82 HSD17B10 (0.52) HPGDKMT2AMEN1POLB
SCHEMBL4635202 0.80 ALDH1A1 (0.53) PKMHSD11B1
SCHEMBL14275541 0.79 HPGD (0.60) HPGDPKMHSD11B1TSHRLRRK2
SCHEMBL4635509 0.78 KMT2A (0.55) HPGDHSD11B1KMT2AMEN1PGR
SCHEMBL11686050 0.78 PKM (0.63) HPGDPKMHSD11B1TSHRKMT2A
SCHEMBL3454797 0.78 HPGD (0.59) HPGDPKMHSD11B1TSHRKMT2A
SCHEMBL16101139 0.78 HPGD (0.59) HPGDPKMHSD11B1TSHRKMT2A
SCHEMBL4052799 0.78 HPGD (0.69) HPGDPKMHSD11B1TSHRKMT2A
SCHEMBL4636441 0.77 DPP4 (0.61) HPGDTSHRKMT2AMEN1POLB

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 HPGD 2646/4885PKM 1070/4885HSD11B1 251/4885

“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.