SCHEMBL2376749

SCHEMBL2376749

N#Cc1cc[c]c(OCC2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 2/20 0.42
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.40
XDH P47989 1/20 0.39
TSHR P16473 1/20 0.39
PARP15 Q460N3 2/20 0.38
PARP10 Q53GL7 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL15474787 0.82 PARP10 (0.40) SLC6A4XDHPARP15PARP10MAOA
SCHEMBL15474826 0.80 MAOA (0.48) PARP15PARP10MAOAMAOB
SCHEMBL2376907 0.79 SLC6A4 (0.49) SLC6A4PARP15PARP10MAOAMAOB
SCHEMBL13723295 0.79 PARP10 (0.41) SLC6A4PARP15PARP10MAOAMAOB
SCHEMBL16319982 0.75 SCN8A (0.40) SLC6A4PARP15PARP10PTGDR2MAOA
SCHEMBL7772437 0.74 TRPV4 (0.42) KMT2A
SCHEMBL13722740 0.74 PARP10 (0.40) PARP15PARP10
SCHEMBL19473156 0.73 HPGD (0.49) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL1986158 0.73 MCHR1 (0.41) PARP15PARP10MAOAMAOB
SCHEMBL16319993 0.72 TSHR (0.43) TSHRKMT2AMAOAMAOB

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 SLC6A2 2280/4885SLC6A4 310/4885SLC6A3 678/4885

“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.