SCHEMBL2376907

SCHEMBL2376907

Clc1cc[c]c(OCC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.49
HTR6 P50406 1/20 0.49
PTGER1 P34995 4/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PARP15 Q460N3 2/20 0.38
PARP10 Q53GL7 2/20 0.38
HPGD P15428 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
CHUK O15111 1/20 0.37

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
SCHEMBL1569669 0.92 HTR2C (0.43) SLC6A4HTR6PTGER1PARP15PARP10
SCHEMBL15474826 0.83 MAOA (0.48) MAOAMAOBPARP15PARP10
SCHEMBL15474787 0.81 PARP10 (0.40) SLC6A4HTR6THRATHRBMAOA
SCHEMBL13723295 0.81 PARP10 (0.41) SLC6A4HTR6THRATHRBMAOA
SCHEMBL2376749 0.79 SLC6A2 (0.42) SLC6A4MAOAMAOBPARP15PARP10
SCHEMBL16319982 0.78 SCN8A (0.40) SLC6A4HTR6PTGER1MAOAMAOB
SCHEMBL15474975 0.76 SLC6A4 (0.44) SLC6A4HTR6PTGER1THRATHRB
SCHEMBL13722740 0.76 PARP10 (0.40) PARP15PARP10HTR2CHTR2B
SCHEMBL1986158 0.76 MCHR1 (0.41) MAOAMAOBPARP15PARP10HTR2C
SCHEMBL5672945 0.75 MAOA (0.47) SLC6A4HTR6MAOAMAOBPARP15

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 SLC6A4 310/4885HTR6 843/4885PTGER1 1013/4885

“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.