SCHEMBL1760607

SCHEMBL1760607

CC(=O)N1c2ccccc2CC1C#N

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.62
TP53 P04637 1/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B3 P37058 1/20 0.41

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
SCHEMBL1760604 1.00 NOTUM (0.62) NOTUMTP53NPC1ALDH1A1LMNA
SCHEMBL10384346 0.81 ALDH1A1 (0.47) NOTUMTP53ALDH1A1LMNAPKM
SCHEMBL1760583 0.80 NOTUM (0.50) NOTUMNPC1ALDH1A1LMNARAB9A
SCHEMBL1760584 0.80 NOTUM (0.50) NOTUMTP53SMN1; SMN2HSD17B3
SCHEMBL1760639 0.77 NOTUM (0.52) NOTUMLMNAHSD17B3
SCHEMBL5523654 0.77 NOTUM (1.00) NOTUMNPC1ALDH1A1LMNAPKM
SCHEMBL2586534 0.77 NOTUM (1.00) NOTUMNPC1ALDH1A1LMNAPKM
SCHEMBL10167044 0.77 NOTUM (1.00) NOTUMNPC1ALDH1A1LMNAPKM
SCHEMBL5523649 0.76 NOTUM (0.68) NOTUMNPC1ALDH1A1LMNAPKM
SCHEMBL16350248 0.76 NOTUM (0.68) NOTUMTP53

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 15 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
US-4912125-A 2,3-dihydro-2-(4,5-dihydroimidazol-2-yl)-indoles for reducing intraocular pressure CIBA-GEIGY CORPORATION (US) 1990-03-27 US disclosed
US-4908376-A 2,3-dihydro-2-(4,5-dihydroimidazol-2-yl)-indoles in composition form for reducing intraocular pressure CIBA-GEIGY CORPORATION (US) 1990-03-13 US 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 1728/4885TP53 4834/4885NPC1 880/4885
US-20080108653-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP NOTUM 1373/4885TP53 4662/4885NPC1 1258/4885
US-20110224255-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP NOTUM 1373/4885TP53 4662/4885NPC1 1258/4885
US-20060276509-A1 Tripeptidyl peptidase inhibitors CCKAR, CCKBR, VIP NOTUM 1373/4885TP53 4662/4885NPC1 1258/4885

“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.