SCHEMBL4635934

SCHEMBL4635934

COc1ccc(C(=O)N2CC3C(N)C3C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.62
CHRNB4 P30926 2/20 0.62
CHRNA3 P32297 2/20 0.62
CHRNA7 P36544 2/20 0.62
CHRNA4 P43681 2/20 0.62
HPGD P15428 2/20 0.59
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
DRD3 P35462 3/20 0.55
DRD2 P14416 2/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL4635911 0.82 L3MBTL1 (0.59) HPGDDRD3DRD2CA12CA1
SCHEMBL30936912 0.82 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4635076 0.82 HSD11B1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4636574 0.82 PKM (0.56) HPGDGAAALDH1A1LMNAKCNA5
SCHEMBL4635422 0.81 HSD11B1 (0.53) CA2
SCHEMBL14314760 0.79 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5394617 0.79 POLB (0.63) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4635067 0.79 HSD11B1 (0.51) POLBGAACA12CA1CA2
SCHEMBL4635518 0.79 HSD17B10 (0.52) HPGDPOLBCA12CA1CA2
SCHEMBL23775468 0.78 POLB (0.71) HPGDPOLBGAADRD3DRD2

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 CHRNB2 3986/4885CHRNB4 3187/4885CHRNA3 3145/4885

“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.