SCHEMBL4635518

SCHEMBL4635518

NC1C2CN(C(=O)c3ccc(Cl)cc3)CC12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
GLA P06280 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.51
PHGDH O43175 1/20 0.51
MGLL Q99685 6/20 0.51
MAPT P10636 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.47
AKR1C3 P42330 1/20 0.46

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
SCHEMBL4635067 0.83 HSD11B1 (0.51) ALDH1A1POLBMGLLCA12CA1
SCHEMBL4635076 0.83 HSD11B1 (0.46) ALDH1A1HPGDKMT2AMEN1
SCHEMBL4636574 0.83 PKM (0.56) ALDH1A1HPGDMGLLTLR2TLR1
SCHEMBL4636581 0.82 HPGD (0.59) HPGDPOLBKMT2AMEN1
SCHEMBL4635554 0.82 HPGD (0.44) HPGDMGLLKMT2AMEN1
SCHEMBL4635202 0.81 ALDH1A1 (0.53) HSD17B10ALDH1A1MGLLCA12CA1
SCHEMBL30937177 0.80 HSD17B10 (0.56) HSD17B10GLAALDH1A1HPGDPOLB
SCHEMBL4635281 0.80 HPGD (0.58) ALDH1A1HPGDPOLBMGLLTLR2
SCHEMBL4635549 0.79 ALDH1A1 (0.64) ALDH1A1CA1CA2
SCHEMBL4635406 0.79 MEN1 (0.58) HPGDMGLLKMT2AMEN1

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 HSD17B10 283/4885GLA 2356/4885ALDH1A1 891/4885

“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.