SCHEMBL2375840

SCHEMBL2375840

COC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
MME P08473 1/20 0.44
SLC6A3 Q01959 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
TACR1 P25103 1/20 0.42
TACR3 P29371 1/20 0.42
ATM Q13315 1/20 0.41
ITGA4 P13612 2/20 0.41
ITGB7 P26010 2/20 0.41
ITGB1 P05556 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MEN1 O00255 3/20 0.39

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
SCHEMBL4632632 0.92 SLC6A2 (0.50) OPRM1SLC6A3SLC6A2SLC6A4TACR1
Hydrochloric Acid SCHEMBL5810068 0.90 SLC6A2 (0.49) OPRM1SLC6A3SLC6A2SLC6A4TACR1
SCHEMBL16111685 0.87 OPRM1 (0.56) OPRM1GAAKDM4EMEN1KMT2A
SCHEMBL14386122 0.85 OPRM1 (0.40) OPRM1SLC6A3SLC6A2SLC6A4TACR1
SCHEMBL2464991 0.84 MME (0.49) OPRM1MMESLC6A3SLC6A2SLC6A4
SCHEMBL14390143 0.83 POLB (0.46) OPRM1POLBMEN1KMT2AALDH1A1
SCHEMBL5810393 0.83 OPRM1 (0.40) OPRM1SLC6A3SLC6A2SLC6A4GAA
Hydrochloric Acid SCHEMBL5810389 0.82 OPRM1 (0.39) OPRM1SLC6A3SLC6A2SLC6A4GAA
SCHEMBL15960834 0.81 TACR1 (0.50) TACR1TACR3KDM4EMAPTMEN1
SCHEMBL30683842 0.78 TACR1 (0.48) TACR1TACR3GAAKDM4EMAPT

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 5 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
CN-102933214-A 4,4-disubstituted piperidine derivatives useful as inhibitors of dipeptidyl peptidase-1 (dpp-1) JANSSEN PHARMACEUTICA NV 2013-02-13 CN disclosed
EP-2544684-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) Janssen Pharmaceutica, N.V. (BE) 2013-01-16 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
WO-2011112685-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA NV (BE) 2011-09-15 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-20110224209-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) DPP4, DPP3, DPP7 OPRM1 1253/4885MME 382/4885SLC6A3 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.