SCHEMBL8136294

SCHEMBL8136294

CC(=O)N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL3 Q96JM7 8/20 0.51
L3MBTL1 Q9Y468 6/20 0.51
ACHE P22303 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
EPHX2 P34913 2/20 0.41
MBTD1 Q05BQ5 2/20 0.41
EPHX1 P07099 1/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
TGM2 P21980 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40

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
SCHEMBL21610969 0.93 CYP1A2 (0.53) CYP1A2TDP1L3MBTL3L3MBTL1ACHE
SCHEMBL4072905 0.92 CYP1A2 (0.61) CYP1A2TDP1L3MBTL3L3MBTL1ACHE
SCHEMBL23269622 0.90 CYP1A2 (0.59) CYP1A2TDP1L3MBTL3L3MBTL1ACHE
SCHEMBL27932674 0.86 L3MBTL3 (0.53) CYP1A2TDP1L3MBTL3L3MBTL1ACHE
SCHEMBL2856149 0.84 L3MBTL3 (0.51) CYP1A2TDP1L3MBTL3L3MBTL1ACHE
SCHEMBL3938492 0.83 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL13207179 0.83 L3MBTL3 (0.56) L3MBTL3L3MBTL1EPHX2MBTD1EPHX1
SCHEMBL15508283 0.83 CYP1A2 (0.52) CYP1A2TDP1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL12881316 0.82 L3MBTL3 (0.50) TDP1L3MBTL3L3MBTL1ACHEALDH1A1
SCHEMBL14899995 0.82 L3MBTL3 (0.50) CYP1A2TDP1L3MBTL3L3MBTL1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer NATIONAL CANCER CENTER (KR) 2023-08-10 US disclosed
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer NATIONAL CANCER CENTER (KR) 2023-08-10 US disclosed
EP-3828185-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2021-06-02 EP disclosed
US-20200253981-A1 USES OF PYRIMIDOPYRIMIDINONES AS SIK INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2020-08-13 US disclosed
US-20200239439-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-07-30 US disclosed
EP-3604304-A1 PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2020-02-05 EP disclosed
WO-2018174650-A9 PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES 재단법인 대구경북첨단의료산업진흥재단 2020-01-02 WO disclosed
EP-3536323-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS Dana Farber Cancer Institute, Inc. (US) 2019-09-11 EP disclosed
WO-2018075608-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 WO disclosed
WO-2018053373-A1 USES OF SATL-INDUCIBLE KINASE (SIK) INHIBITORS FOR TREATING OSTEOPOROSIS THE GENERAL HOSPITAL CORPORATION (US) 2018-03-22 WO disclosed
US-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-03-19 US disclosed
US-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-03-19 US disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 US disclosed
US-7897603-B2 Selected CGRP-antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
WO-2010080712-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-07-15 WO disclosed
EP-2119706-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE Eisai R&D Management Co., Ltd. (JP) 2009-11-18 EP disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO disclosed
WO-2007036532-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 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 (6 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-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, BRSK1, TAOK3 CYP1A2 3934/4885TDP1 823/4885L3MBTL3 1904/4885
US-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY GCKR, GRK4, GRK5 CYP1A2 4066/4885TDP1 4161/4885L3MBTL3 4648/4885
US-20200253981-A1 USES OF PYRIMIDOPYRIMIDINONES AS SIK INHIBITORS SIK2, SIK1, SIK3 CYP1A2 3051/4885TDP1 2225/4885L3MBTL3 4457/4885
US-20200239439-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME CXCR4, CXCL12, CXCR1 CYP1A2 2440/4885TDP1 4045/4885L3MBTL3 4642/4885
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer LRRK2, FABP7, PARK7 CYP1A2 4585/4885TDP1 921/4885L3MBTL3 1291/4885
US-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 CYP1A2 525/4885TDP1 4644/4885L3MBTL3 3280/4885

“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.