SCHEMBL254031

SCHEMBL254031

Nc1cccc2c1OCC(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.48
CREBBP Q92793 7/20 0.43
BRD4 O60885 6/20 0.43
DRD2 P14416 2/20 0.41
HTR1A P08908 1/20 0.41
MMP12 P39900 1/20 0.40
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
AHR P35869 1/20 0.36
PDK2 Q15119 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL29954126 0.81 SMYD3 (0.44) SMYD3CREBBPBRD4DRD2HTR1A
SCHEMBL5331739 0.81 SMYD3 (0.44) SMYD3CREBBPBRD4DRD2HTR1A
SCHEMBL3590076 0.80 SMYD3 (0.46) SMYD3CREBBPBRD4DRD2HTR1A
SCHEMBL31364658 0.79 SMYD3 (0.43) SMYD3CREBBPBRD4DRD2HTR1A
SCHEMBL1851941 0.79 CREBBP (0.58) SMYD3CREBBPBRD4DRD2HTR1A
SCHEMBL2599615 0.79 SMYD3 (0.45) SMYD3CREBBPBRD4DRD2HTR1A
SCHEMBL4261663 0.79 IL4I1 (0.45) SMYD3CREBBPBRD4DRD2HTR1A
SCHEMBL22521052 0.79 SMYD3 (0.45) SMYD3CREBBPBRD4DRD2HTR1A
SCHEMBL4317646 0.79 SMYD3 (0.51) SMYD3CREBBPBRD4DRD2HTR1A
SCHEMBL2380905 0.79 SMYD3 (0.45) SMYD3CREBBPBRD4DRD2HTR1A

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
US-20220226335-A1 Non-Peptidic Heterocycle-Containing Compounds for the Treatment of Alzheimer?s Disease THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-07-21 US disclosed
EP-3433234-B1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-10851215-B2 Graphene-augmented composite materials THE BOEING COMPANY (US) 2020-12-01 US disclosed
EP-3661990-A1 CURABLE COMPOSITION INCLUDING EPOXY RESIN AND CURABLE SOLID FILLER 3M Innovative Properties Company (US) 2020-06-10 EP disclosed
US-20190338087-A1 GRAPHENE-AUGMENTED COMPOSITE MATERIALS THE BOEING COMPANY (US) 2019-11-07 US disclosed
US-10400075-B2 Graphene-augmented composite materials THE BOEING COMPANY (US) 2019-09-03 US disclosed
US-10233177-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion SERENTRIX, LLC 2019-03-19 US disclosed
WO-2019027746-A1 CURABLE COMPOSITION INCLUDING EPOXY RESIN AND CURABLE SOLID FILLER 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-02-07 WO disclosed
US-20180223055-A1 GRAPHENE-AUGMENTED COMPOSITE MATERIALS THE BOEING COMPANY (US) 2018-08-09 US disclosed
WO-2008147812-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-04 WO disclosed
WO-2008147812-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-04 WO disclosed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
WO-2008101247-A2 6 ' SUBSTITUTED INDOLE AND INDAZOLE DERIVATIVES HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 WO disclosed
WO-2008101247-A2 6 ' SUBSTITUTED INDOLE AND INDAZOLE DERIVATIVES HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 WO disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 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 (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-20220226335-A1 Non-Peptidic Heterocycle-Containing Compounds for the Treatment of Alzheimer?s Disease IAPP, GLP1R, APP SMYD3 4089/4885CREBBP 1560/4885BRD4 2738/4885
US-10233177-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion TRPV1, TRPV5, TRPV3 SMYD3 3728/4885CREBBP 1921/4885BRD4 816/4885
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR1A SMYD3 3527/4885CREBBP 1619/4885BRD4 2010/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 SMYD3 4181/4885CREBBP 1652/4885BRD4 750/4885

“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.