SCHEMBL4635103

SCHEMBL4635103

NC1C2CN(C(=O)c3ccc(F)c(Cl)c3F)CC12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.45
HPGD P15428 4/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MGLL Q99685 3/20 0.35
CPS1 P31327 5/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL4636613 0.87 CES2 (0.46) HPGDUSP2TSHRMAP2K2MAP2K1
SCHEMBL4636532 0.80 P2RX7 (0.46) P2RX7HPGDUSP2TSHRALDH1A1
SCHEMBL4635848 0.77 P2RX7 (0.50) P2RX7HPGDTSHRALDH1A1KMT2A
SCHEMBL4636549 0.77 CPS1 (0.53) MEN1KMT2ACPS1
SCHEMBL4635229 0.77 TSHR (0.63) P2RX7HPGDTSHRALDH1A1MEN1
SCHEMBL4788243 0.76 TSHR (0.53) TSHRALDH1A1MEN1KMT2AMGLL
SCHEMBL4788064 0.76 TSHR (0.53) TSHRALDH1A1MEN1KMT2AMGLL
SCHEMBL4635554 0.74 HPGD (0.44) P2RX7HPGDMEN1KMT2AMGLL
SCHEMBL4636539 0.74 TSHR (0.46) HPGDTSHRCPS1
SCHEMBL4635545 0.72 EPHX2 (0.45) P2RX7TSHRMEN1KMT2AMGLL

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 P2RX7 1288/4885HPGD 2646/4885USP2 1128/4885

“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.