SCHEMBL2603252

SCHEMBL2603252

CC(C)C1CCN(C(=O)c2cccnc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 1/20 0.55
HTT P42858 1/20 0.55
PKM P14618 1/20 0.54
POLB P06746 1/20 0.53
PIK3CD O00329 1/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 1/20 0.51

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
SCHEMBL16000511 0.85 GAA (0.59) GAAMAPK1ALDH1A1TDP1HTT
SCHEMBL13073616 0.84 ACHE (0.67) GAAMAPK1ALDH1A1TDP1HTT
SCHEMBL14593599 0.84 GAA (0.58) GAAMAPK1ALDH1A1TDP1HTT
SCHEMBL19106730 0.84 RECQL (0.54) GAAMAPK1ALDH1A1POLBPIK3CD
SCHEMBL12424623 0.83 GAA (0.67) GAAMAPK1ALDH1A1TDP1HTT
SCHEMBL29995238 0.82 GAA (0.62) GAAMAPK1ALDH1A1TDP1HTT
SCHEMBL21183264 0.82 GAA (0.62) GAAMAPK1ALDH1A1TDP1HTT
SCHEMBL2603247 0.82 ACHE (0.68) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL9763711 0.82 PKM (0.74) MAPK1ALDH1A1TDP1PKMPOLB
SCHEMBL2427413 0.81 GAA (0.61) GAAMAPK1ALDH1A1TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 US disclosed
US-9546153-B2 Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 US disclosed
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US disclosed
US-9126973-B2 Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2015-09-08 US disclosed
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-04-09 US disclosed
US-8536185-B2 Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-09-17 US disclosed
US-8450326-B2 2013-05-28 US disclosed
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-03-28 US disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
US-20100075990-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY (US) 2010-03-25 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 (8 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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 GAA 1030/4885MAPK1 517/4885ALDH1A1 361/4885
US-20100075990-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES GAA 1585/4885MAPK1 1549/4885ALDH1A1 2131/4885
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 GAA 996/4885MAPK1 1118/4885ALDH1A1 3835/4885
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK1, IRAK3 GAA 4832/4885MAPK1 64/4885ALDH1A1 3540/4885
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES GAA 1585/4885MAPK1 1549/4885ALDH1A1 2131/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 GAA 3921/4885MAPK1 1/4885ALDH1A1 1430/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 GAA 959/4885MAPK1 477/4885ALDH1A1 285/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES GAA 1585/4885MAPK1 1549/4885ALDH1A1 2131/4885

“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.