SCHEMBL653997

SCHEMBL653997

O=C(O)N1Cc2ccccc2C2(CCNCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
NAMPT P43490 5/20 0.40
HSD11B1 P28845 3/20 0.39
DPP4 P27487 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP3A4 P08684 1/20 0.38
NOTUM Q6P988 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL29791451 0.90 NOTUM (0.44) DPP9DPP7HSD11B1NOTUM
SCHEMBL14062149 0.90 NOTUM (0.44) DPP9DPP7HSD11B1NOTUM
SCHEMBL7568469 0.87 NOTUM (0.50) DPP9DPP7NAMPTHSD11B1DPP4
SCHEMBL5578840 0.84 DPP9 (0.44) DPP9DPP7NAMPTHSD11B1CYP1A2
SCHEMBL652952 0.81 MAPK1 (0.52) DPP9DPP7NAMPT
SCHEMBL5580211 0.79 AVPR1A (0.43) DPP9DPP7
SCHEMBL1747817 0.78 NOTUM (0.49) HSD11B1CYP1A2CYP2D6CYP3A4NOTUM
SCHEMBL22765655 0.76 NOTUM (0.58) HSD11B1CYP3A4NOTUM
SCHEMBL14639364 0.76 NOTUM (0.43) DPP9DPP7HSD11B1CYP2D6NOTUM
SCHEMBL5295193 0.75 HTR2A (0.41) HSD11B1SIGMAR1

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
EP-2023924-B1 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2016-08-03 EP disclosed
EP-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP disclosed
US-8119652-B2 Aryl-fused spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 US disclosed
US-7863449-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 US disclosed
EP-2265588-A1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
WO-2009108332-A1 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed
EP-2023924-A2 ARYL-FUSED SPIROCYCLIC COMPOUNDS Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2007136605-A2 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
EP-1817036-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP disclosed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US disclosed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 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 (3 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-20060270653-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 DPP9 1852/4885DPP7 1611/4885NAMPT 1986/4885
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds HDAC1, BRDT, HDAC5 DPP9 2504/4885DPP7 2154/4885NAMPT 926/4885
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 HSD11B1, HSD17B1, HSD3B1 DPP9 1086/4885DPP7 1724/4885NAMPT 1300/4885

“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.