SCHEMBL4635554

SCHEMBL4635554

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
HSD11B1 P28845 2/20 0.43
MGLL Q99685 1/20 0.42
HTR1A P08908 8/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
PDE2A O00408 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
P2RX7 Q99572 1/20 0.40
TACR3 P29371 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL4636581 0.87 HPGD (0.59) HPGDHSD11B1MEN1KMT2APKM
SCHEMBL4635509 0.87 KMT2A (0.55) HPGDHSD11B1MGLLMEN1KMT2A
SCHEMBL4635777 0.83 KMT2A (0.44) HPGDHSD11B1MEN1KMT2APDE2A
SCHEMBL4635518 0.82 HSD17B10 (0.52) HPGDMGLLMEN1KMT2A
SCHEMBL4635417 0.81 TAS1R3 (0.44) HSD11B1MEN1KMT2APDE2ATAS1R3
SCHEMBL4635202 0.79 ALDH1A1 (0.53) HSD11B1MGLLPKM
SCHEMBL4635067 0.79 HSD11B1 (0.51) HSD11B1MGLLMEN1KMT2A
SCHEMBL4635078 0.78 KDM1A (0.48) HPGDHSD11B1MEN1KMT2A
SCHEMBL2653348 0.77 HPGD (0.73) HPGDHSD11B1HTR1AMEN1KMT2A
SCHEMBL4635474 0.77 CES2 (0.42) HPGDHSD11B1MEN1KMT2APDE2A

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 2646/4885HSD11B1 251/4885MGLL 1184/4885

“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.