SCHEMBL104852

SCHEMBL104852

CC(=O)N1CC=C(C(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.45
NOTUM Q6P988 2/20 0.40
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PIK3CD O00329 1/20 0.35
PTAFR P25105 1/20 0.35
BAZ2B Q9UIF8 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
GRIA1 P42261 1/20 0.34
KMT2A Q03164 1/20 0.34
NAMPT P43490 1/20 0.34
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SOS1 Q07889 2/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL12030751 0.84 NAMPT (0.43) KCNH2HRH3NAMPT
SCHEMBL23627165 0.83 QDPR (0.41) QDPRNOTUMKCNH2HRH3PIK3CD
SCHEMBL17660297 0.82 MAPT (0.39) KCNH2HRH3MAPTKMT2A
SCHEMBL17679886 0.81 KCNH2 (0.31) KCNH2HRH3
SCHEMBL18269036 0.81 NOTUM (0.39) QDPRNOTUMPIK3CDBAZ2BLMNA
SCHEMBL20032409 0.81 QDPR (0.42) QDPRNOTUMHRH3PIK3CDPTAFR
SCHEMBL12205461 0.81 HRH3 (0.46) KCNH2HRH3LMNAMAPTKMT2A
SCHEMBL21665288 0.81 MEN1 (0.34) QDPRKCNH2HRH3LMNAKMT2A
SCHEMBL2603265 0.81 MEN1 (0.37) KCNH2HRH3KMT2ANAMPT
SCHEMBL15837090 0.81 CYP2C9 (0.36) KCNH2HRH3MAPTKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218021-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-07-04 US disclosed
WO-2024086814-A2 CYCLIN INHIBITORS CIRCLE PHARMA, INC. (US) 2024-04-25 WO disclosed
US-20230372528-A1 GLYCOCONJUGATES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2023-11-23 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
WO-2023180345-A1 TRICYCLIC PHTHALAZINES AND DERIVATIVES AS SOS1 INHIBITORS JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-09-28 WO disclosed
US-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 US disclosed
US-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 US disclosed
WO-2023135260-A1 NOVEL AMINE-SUBSTITUTED PHTHALAZINES AND DERIVATIVES AS SOS1 INHIBITORS JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-07-20 WO 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 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-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 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 (12 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 QDPR 1740/4885NOTUM 2143/4885KCNH2 777/4885
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 QDPR 2741/4885NOTUM 1057/4885KCNH2 4329/4885
US-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 QDPR 539/4885NOTUM 4530/4885KCNH2 3089/4885
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors UGDH, PGD, PNPO QDPR 421/4885NOTUM 348/4885KCNH2 4629/4885
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase PRKDC, MAP3K20, MAP3K5 QDPR 1119/4885NOTUM 2710/4885KCNH2 2802/4885
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, HDAC10 QDPR 1624/4885NOTUM 1837/4885KCNH2 2493/4885
US-20240218021-A1 CYCLIN INHIBITORS CCNI, CCNC, CDK2 QDPR 4295/4885NOTUM 3309/4885KCNH2 4722/4885
US-20230372528-A1 GLYCOCONJUGATES CD22, SIGLEC7, CD47 QDPR 1106/4885NOTUM 4404/4885KCNH2 3778/4885
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A QDPR 715/4885NOTUM 1703/4885KCNH2 2391/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 QDPR 1313/4885NOTUM 415/4885KCNH2 4477/4885
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK1G3 QDPR 1152/4885NOTUM 1240/4885KCNH2 3551/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A QDPR 677/4885NOTUM 491/4885KCNH2 3476/4885

“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.