SCHEMBL2374957

SCHEMBL2374957

COc1c[c]ccc1NC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
CCR4 P51679 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NSD2 O96028 1/20 0.38

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
SCHEMBL19915073 0.77 NPSR1 (0.61) NPSR1L3MBTL1HPGDRAB9ASMN1; SMN2
SCHEMBL16320285 0.76 KDM4E (0.42) SMN1; SMN2LMNAKDM4EGAAMAPT
SCHEMBL28658329 0.74 TTK (0.63) CCR4
SCHEMBL8492806 0.74 PDE4A (0.43) PDGFRBPDGFRAMEN1KMT2A
SCHEMBL10808825 0.73 GAA (0.47) NPSR1L3MBTL1HPGDSMN1; SMN2TSHR
SCHEMBL28664738 0.72 TTK (0.61) CCR4
SCHEMBL1299366 0.72 HTR2C (0.40) HPGDRAB9ANPC1PDGFRBPDGFRA
SCHEMBL315053 0.72 PDE4A (0.48) LMNAKDM4EMAPTKMT2A
SCHEMBL2887418 0.72 PDE4A (0.44) LMNAMAPT
SCHEMBL6218545 0.72 APP (0.40)

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 NPSR1 1151/4885L3MBTL1 2892/4885HPGD 2257/4885

“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.