SCHEMBL1760504

SCHEMBL1760504

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
PDK1 Q15118 3/20 0.39
PDK2 Q15119 3/20 0.39
PDK3 Q15120 3/20 0.39
PDK4 Q16654 3/20 0.39
HSP90AA1 P07900 2/20 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
SCHEMBL1760640 0.83 TP53 (0.49) NOTUMKMT2ATP53LMNA
SCHEMBL32673424 0.81 NOTUM (0.62) NOTUMALDH1A1HTTNPC1RAB9A
SCHEMBL1760527 0.81 LMNA (0.50) NOTUMKMT2ATP53LMNA
SCHEMBL1760595 0.79 NOTUM (0.64) NOTUMTP53
SCHEMBL1760593 0.79 NOTUM (0.64) NOTUMTP53
SCHEMBL21172566 0.78 NOTUM (0.49) NOTUMALDH1A1HTTNPC1RAB9A
SCHEMBL21173009 0.78 NOTUM (0.49) NOTUMALDH1A1HTTNPC1RAB9A
Hydrochloric Acid SCHEMBL1760518 0.78 NOTUM (0.62) NOTUMTP53
Hydrochloric Acid SCHEMBL1760513 0.77 NOTUM (0.40) NOTUMALDH1A1HTTNPC1RAB9A
SCHEMBL31404143 0.77 NOTUM (0.48) NOTUMALDH1A1HTTNPC1RAB9A

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 NOTUM 1728/4885ALDH1A1 2290/4885HTT 4757/4885
US-20080108653-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP NOTUM 1373/4885ALDH1A1 3045/4885HTT 4759/4885
US-20110224255-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP NOTUM 1373/4885ALDH1A1 3045/4885HTT 4759/4885
US-20060276509-A1 Tripeptidyl peptidase inhibitors CCKAR, CCKBR, VIP NOTUM 1373/4885ALDH1A1 3045/4885HTT 4759/4885

“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.