SCHEMBL4635848

SCHEMBL4635848

NC1C2CN(C(=O)c3ccc(Cl)cc3Cl)CC12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 2/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
DPP4 P27487 1/20 0.44
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
IP6K1 Q92551 1/20 0.42
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42

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
SCHEMBL4635229 0.79 TSHR (0.63) P2RX7ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL4635518 0.78 HSD17B10 (0.52) ALDH1A1HPGDKMT2AMAPT
SCHEMBL4635103 0.77 P2RX7 (0.45) P2RX7ALDH1A1HPGDTSHRKMT2A
SCHEMBL4635202 0.76 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4E
SCHEMBL24508969 0.76 P2RX7 (0.60) P2RX7HPGDTSHRCASP1SMN1; SMN2
SCHEMBL29944105 0.74 MEN1 (0.62) P2RX7HPGDTSHRKMT2AL3MBTL1
SCHEMBL14825147 0.74 P2RX7 (0.62) P2RX7HPGDTSHRCASP1SMN1; SMN2
SCHEMBL11488934 0.74 MEN1 (0.62) P2RX7HPGDTSHRKMT2AL3MBTL1
SCHEMBL4636613 0.74 CES2 (0.46) HPGDTSHR
SCHEMBL4636581 0.74 HPGD (0.59) HPGDTSHRKMT2A

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 1288/4885ALDH1A1 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.