SCHEMBL1760636

SCHEMBL1760636

NC(=O)C1Cc2cc(Cl)ccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
AHR P35869 1/20 0.40
SCN9A Q15858 1/20 0.38
HTR5A P47898 3/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
DRD4 P21917 2/20 0.37
HTR1D P28221 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR7 P34969 2/20 0.37
HTR2B P41595 2/20 0.37
HTR3A P46098 2/20 0.37
AADAT Q8N5Z0 1/20 0.37
CDC25B P30305 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL6164822 0.85 GAA (0.60) GAAMAPTAHRCDC25B
SCHEMBL3256484 0.85 GAA (0.60) GAAMAPTAHRCDC25B
SCHEMBL6246219 0.85 GAA (0.60) GAAMAPTAHRCDC25B
Water SCHEMBL28741688 0.84 GAA (0.58) GAAMAPTAHRCDC25B
Hydrochloric Acid SCHEMBL11071035 0.84 GAA (0.58) GAAMAPTAHRCDC25B
SCHEMBL13889887 0.84 GAA (0.42) SIRT1SIRT2GAAMAPTAHR
Hydrochloric Acid SCHEMBL22617355 0.83 GAA (0.57) GAAMAPTAHRCDC25B
SCHEMBL1760655 0.81 GAA (0.42) GAAMAPTHTR5A
SCHEMBL5563634 0.80 PDE5A (0.41) GAAMAPTAHR
SCHEMBL3256076 0.80 PDE5A (0.41) GAAMAPTAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
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
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP 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
CN-100400040-C Tripeptidase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2008-07-09 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
CN-1471394-A Tripeptidase inhibitors ղɭҩҵ���޹�˾ 2004-01-28 CN 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 SIRT1 3937/4885SIRT2 3946/4885GAA 1598/4885
US-20080108653-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP SIRT1 3532/4885SIRT2 4073/4885GAA 2335/4885
US-20110224255-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP SIRT1 3532/4885SIRT2 4073/4885GAA 2335/4885
US-20060276509-A1 Tripeptidyl peptidase inhibitors CCKAR, CCKBR, VIP SIRT1 3532/4885SIRT2 4073/4885GAA 2335/4885

“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.