SCHEMBL81930

SCHEMBL81930

CCN1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
RAD52 P43351 2/20 0.69
MAPT P10636 2/20 0.69
KDM4E B2RXH2 1/20 0.69
GFER P55789 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CHRNA7 P36544 1/20 0.68
ALDH1A1 P00352 1/20 0.60
NPSR1 Q6W5P4 1/20 0.57
ESRRB O95718 2/20 0.56
ESRRG P62508 2/20 0.56
ESR1 P03372 1/20 0.56
KCNH2 Q12809 1/20 0.55
ADRB1 P08588 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HTR7 P34969 1/20 0.51
TP53 P04637 1/20 0.50

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
SCHEMBL82263 0.93 GAA (0.61) GAARAD52MAPTKDM4EGFER
SCHEMBL20376700 0.88 MAPT (0.55) GAARAD52MAPTKDM4EGFER
SCHEMBL7105773 0.84 ADRB1 (0.70) GAAMAPTKDM4EGFERSMN1; SMN2
SCHEMBL10063748 0.84 ADRB1 (0.70) GAAMAPTKDM4EGFERSMN1; SMN2
SCHEMBL3414344 0.84 ADRB1 (0.70) GAAMAPTKDM4EGFERSMN1; SMN2
SCHEMBL81904 0.84 DRD2 (0.70) GAARAD52MAPTKDM4EGFER
SCHEMBL14924468 0.83 KMT2A (0.67) GAARAD52MAPTKDM4EGFER
SCHEMBL24452939 0.82 MAPT (0.67) GAARAD52MAPTKDM4EGFER
SCHEMBL578273 0.82 GAA (0.67) GAARAD52MAPTKDM4EGFER
SCHEMBL10891766 0.82 KMT2A (0.71) GAARAD52MAPTKDM4EGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
EP-4230204-A1 THIOBENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND USE THEREOF Korea University Research and Business Foundation (KR) 2023-08-23 EP disclosed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO disclosed
US-20220305016-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS FOR TREATING OSTEOPOROSIS THE GENERAL HOSPITAL CORPORATION (US) 2022-09-29 US disclosed
EP-3480186-B1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT NOVMETAPHARMA CO LTD (KR) 2022-06-15 EP disclosed
WO-2022086110-A1 THIOBENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND USE THEREOF 고려대학교 산학협력단 2022-04-28 WO disclosed
EP-3459936-B1 NOVEL ARYL ETHANE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2022-04-27 EP disclosed
WO-2021254389-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2021-12-23 WO disclosed
US-20210332046-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SILENT AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-28 US disclosed
US-11155551-B2 Nicotinic acetylcholine receptor silent agonists UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2021-10-26 US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 US disclosed
US-20070060570-A1 Sulfopyrroles TALEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US disclosed
US-7166572-B1 Cyclohexapeptide compounds, processes for their production and their use as a pharmaceutical AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-01-23 US disclosed
US-7166572-B1 Cyclohexapeptide compounds, processes for their production and their use as a pharmaceutical AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-01-23 US disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 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 (7 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A GAA 447/4885RAD52 4767/4885MAPT 4661/4885
US-11155551-B2 Nicotinic acetylcholine receptor silent agonists CHRNA7, CHRNA2, CHRNE GAA 3751/4885RAD52 3251/4885MAPT 2570/4885
US-20070060570-A1 Sulfopyrroles TYK2, ARSA, SULT2A1 GAA 3347/4885RAD52 1340/4885MAPT 4766/4885
US-20220305016-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS FOR TREATING OSTEOPOROSIS SOST, SIK2, SIK1 GAA 3066/4885RAD52 4752/4885MAPT 1864/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GAA 334/4885RAD52 3653/4885MAPT 3682/4885
US-20210332046-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SILENT AGONISTS CHRNA7, CHRNA2, CHRNE GAA 3751/4885RAD52 3251/4885MAPT 2570/4885
US-20070207999-A1 New Compounds CCNA1, MKI67, CCNT1 GAA 329/4885RAD52 4653/4885MAPT 3181/4885

“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.