SCHEMBL1760640

SCHEMBL1760640

CC(=O)N1c2ccc(Cl)cc2CC1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
NOTUM Q6P988 3/20 0.48
KMT2A Q03164 2/20 0.47
AADAT Q8N5Z0 1/20 0.46
LMNA P02545 1/20 0.44
HSD17B3 P37058 1/20 0.44
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL1760504 0.83 NOTUM (0.48) TP53NOTUMKMT2ALMNA
SCHEMBL1760527 0.81 LMNA (0.50) TP53NOTUMKMT2AAADATLMNA
SCHEMBL1760595 0.79 NOTUM (0.64) TP53NOTUM
SCHEMBL1760593 0.79 NOTUM (0.64) TP53NOTUM
Hydrochloric Acid SCHEMBL1760518 0.78 NOTUM (0.62) TP53NOTUM
Hydrochloric Acid SCHEMBL1760519 0.77 TP53 (0.45) TP53NOTUMKMT2ALMNAHSD17B3
SCHEMBL1760584 0.76 NOTUM (0.50) TP53NOTUMKMT2AAADATHSD17B3
SCHEMBL3871078 0.74 NOTUM (0.40) TP53NOTUMKMT2A
SCHEMBL10919564 0.74 NOTUM (0.42) TP53NOTUMKMT2AAADATHSD17B3
SCHEMBL32676738 0.74 HTR1A (0.40) TP53NOTUMKMT2AAADATLMNA

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 13 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
CN-101307046-B Tripeptidyl peptidase inhibitors JANSSEN PHARMACEUTICA NV 2012-08-15 CN 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
CN-101307046-A Tripeptidyl peptidase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2008-11-19 CN 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 TP53 4834/4885NOTUM 1728/4885KMT2A 3544/4885
US-20080108653-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP TP53 4662/4885NOTUM 1373/4885KMT2A 3763/4885
US-20110224255-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP TP53 4662/4885NOTUM 1373/4885KMT2A 3763/4885
US-20060276509-A1 Tripeptidyl peptidase inhibitors CCKAR, CCKBR, VIP TP53 4662/4885NOTUM 1373/4885KMT2A 3763/4885

“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.