SCHEMBL2375290

SCHEMBL2375290

Ic1cc[c]c(NC2CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
HSD17B10 Q99714 2/20 0.33
APAF1 O14727 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IDO1 P14902 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NUDT1 P36639 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL16319839 0.79 KDM4E (0.42) KDM4EGAAMAPTALDH1A1L3MBTL1
SCHEMBL16320026 0.74 HCAR3 (0.48) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27947370 0.74 MAP4K4 (0.36) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL16320397 0.73 FAAH (0.44) EPHX2
SCHEMBL16319691 0.73 MAPT (0.53) GAAMAPTALDH1A1L3MBTL1EPHX1
SCHEMBL8170956 0.73 F2 (0.40) KDM4EGAAMAPT
SCHEMBL2053980 0.73 KDM4E (0.46) KDM4EGAAMAPTL3MBTL1MEN1
SCHEMBL16320332 0.72 RAB9A (0.52) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL16320125 0.71 PKM (0.45) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL16320203 0.71 ALDH1A1 (0.48) GAAALDH1A1MAPK1LMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2544684-B1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA NV (BE) 2014-12-24 EP disclosed
US-20110224209-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-15 US 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-20110224209-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) DPP4, DPP3, DPP7 KDM4E 949/4885GAA 145/4885MAPT 2196/4885

“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.