SCHEMBL1760639

SCHEMBL1760639

COc1ccc2c(c1)CC(C#N)N2C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
LMNA P02545 1/20 0.49
TNF P01375 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
DPP4 P27487 2/20 0.45
HSD17B10 Q99714 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
KMT2A Q03164 1/20 0.41
HSD17B3 P37058 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 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
SCHEMBL1760584 0.81 NOTUM (0.50) NOTUMTNFNOD2NOD1KMT2A
SCHEMBL1760583 0.81 NOTUM (0.50) NOTUMLMNAKMT2A
SCHEMBL2205547 0.81 LMNA (0.68) NOTUMLMNATNFNOD2NOD1
SCHEMBL12428954 0.81 LMNA (0.68) NOTUMLMNATNFNOD2NOD1
SCHEMBL2209599 0.81 LMNA (0.68) NOTUMLMNATNFNOD2NOD1
SCHEMBL7316200 0.78 NOTUM (0.51) NOTUMLMNATNFNOD2NOD1
SCHEMBL1760604 0.77 NOTUM (0.62) NOTUMLMNAHSD17B3
SCHEMBL1760607 0.77 NOTUM (0.62) NOTUMLMNAHSD17B3
SCHEMBL1760527 0.77 LMNA (0.50) NOTUMLMNATNFNOD2NOD1
SCHEMBL7316205 0.76 LMNA (0.49) NOTUMLMNATNFNOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247432-B2 Tripeptidyl peptidase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-21 US disclosed
US-20110224255-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS BRESLIN HENRY JOSEPH 2011-09-15 US disclosed
US-7947713-B2 (3-(4-phenyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydro-isoquinoline; inactivation of endogenous neuropeptides such as cholecystokinis; eating disorders, obesity, psychotic syndromes and associated psychiatric disorders; chemical intermediates coupling JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-24 US disclosed
US-20080108653-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS BRESLIN HENRY J 2008-05-08 US disclosed
EP-1392291-B1 TRIPEPTIDYL PEPTIDASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-05-30 EP disclosed
US-20060276509-A1 Tripeptidyl peptidase inhibitors BRESLIN HENRY J 2006-12-07 US disclosed
US-7125891-B2 Tripeptidyl peptidase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-24 US disclosed
EP-1392291-A2 TRIPEPTIDYL PEPTIDASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-03 EP disclosed
US-20040034089-A1 Tripeptidyl peptidase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-19 US disclosed
WO-2002036116-A9 TRIPEPTIDYL PEPTIDASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2003-05-30 WO disclosed
WO-2002036116-A2 TRIPEPTIDYL PEPTIDASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-10 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 (4 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-20040034089-A1 Tripeptidyl peptidase inhibitors CCKAR, CCKBR, VIP NOTUM 1728/4885LMNA 2218/4885TNF 4672/4885
US-20080108653-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP NOTUM 1373/4885LMNA 2634/4885TNF 4619/4885
US-20110224255-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP NOTUM 1373/4885LMNA 2634/4885TNF 4619/4885
US-20060276509-A1 Tripeptidyl peptidase inhibitors CCKAR, CCKBR, VIP NOTUM 1373/4885LMNA 2634/4885TNF 4619/4885

“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.