SCHEMBL4636574

SCHEMBL4636574

Cc1ccc(C(=O)N2CC3C(N)C3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
HSD11B1 P28845 1/20 0.46
MGLL Q99685 1/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KCNA5 P22460 1/20 0.45

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
SCHEMBL4635076 0.86 HSD11B1 (0.46) PKMALDH1A1HPGDMEN1KMT2A
SCHEMBL17888327 0.86 PKM (0.59) PKMALDH1A1HPGDMEN1KMT2A
SCHEMBL4635251 0.83 CRHBP (0.71) PKMALDH1A1HPGDMEN1KMT2A
SCHEMBL4895759 0.83 CA12 (0.52) PKMALDH1A1HPGDKMT2AHSD11B1
SCHEMBL4635518 0.83 HSD17B10 (0.52) ALDH1A1HPGDMEN1KMT2ATLR2
SCHEMBL4635067 0.83 HSD11B1 (0.51) ALDH1A1MEN1KMT2ATLR2TLR1
SCHEMBL4635047 0.82 ALDH1A1 (0.46) ALDH1A1HPGDKMT2AGAA
SCHEMBL4894757 0.82 MEN1 (0.58) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL4635934 0.82 CHRNB2 (0.62) ALDH1A1HPGDLMNAGAAKCNA5
SCHEMBL10195594 0.80 PKM (0.61) PKMALDH1A1HPGDMEN1KMT2A

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 PKM 1070/4885ALDH1A1 891/4885HPGD 2646/4885

“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.