SCHEMBL4635248

SCHEMBL4635248

Cc1cc(F)ccc1C(=O)N1CC2C(N)C2C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.45
HCRTR2 O43614 10/20 0.45
PDE2A O00408 1/20 0.43
CPS1 P31327 2/20 0.43
HSD11B1 P28845 4/20 0.42
P2RX7 Q99572 1/20 0.41
CYP1A2 P05177 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
SCHEMBL4636549 0.85 CPS1 (0.53) CPS1
SCHEMBL4898713 0.81 HCRTR1 (0.57) HCRTR1HCRTR2CPS1P2RX7
SCHEMBL4635067 0.79 HSD11B1 (0.51) HSD11B1
SCHEMBL4635777 0.77 KMT2A (0.44) PDE2AHSD11B1
SCHEMBL4635120 0.76 PAX8 (0.42) HCRTR1HCRTR2HSD11B1
SCHEMBL4636613 0.75 CES2 (0.46) HCRTR1HCRTR2CPS1
SCHEMBL4636539 0.74 TSHR (0.46) HCRTR1HCRTR2CPS1
SCHEMBL3390817 0.74 PDE2A (0.56) PDE2AHSD11B1
SCHEMBL3390823 0.74 PDE2A (0.56) PDE2AHSD11B1
SCHEMBL4635404 0.74 PLA2G7 (0.60) HSD11B1

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 HCRTR1 1802/4885HCRTR2 1658/4885PDE2A 1927/4885

“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.