SCHEMBL3004249

SCHEMBL3004249

CC1CCN(Cc2ccc(N)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.73
ACHE P22303 4/20 0.68
LMNA P02545 1/20 0.62
ALDH1A1 P00352 3/20 0.61
SIGMAR1 Q99720 1/20 0.51
CXCR3 P49682 1/20 0.49
HTR7 P34969 2/20 0.48
HTT P42858 1/20 0.47
PARP1 P09874 1/20 0.46

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
SCHEMBL3181878 0.83 ALDH1A1 (0.63) HRH3ACHELMNAALDH1A1SIGMAR1
SCHEMBL4267786 0.83 ALDH1A1 (0.63) HRH3LMNAALDH1A1SIGMAR1CXCR3
SCHEMBL156202 0.83 HRH3 (0.76) HRH3ACHEALDH1A1SIGMAR1CXCR3
SCHEMBL8252094 0.83 HRH3 (0.76) HRH3ACHELMNAALDH1A1HTR7
SCHEMBL8275450 0.83 HRH3 (0.76) HRH3ACHELMNAALDH1A1
SCHEMBL24105582 0.82 HRH3 (0.69) HRH3ACHELMNAALDH1A1SIGMAR1
SCHEMBL17465246 0.82 HRH3 (0.69) HRH3ACHELMNAALDH1A1HTR7
SCHEMBL3156587 0.82 LMNA (0.59) HRH3ACHELMNAALDH1A1SIGMAR1
SCHEMBL17450448 0.82 LMNA (0.59) HRH3ACHELMNAALDH1A1SIGMAR1
SCHEMBL10690328 0.82 LMNA (0.80) HRH3LMNAALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US claimed
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 US claimed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US claimed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US claimed
CN-114621140-B Aryldifluoroacetamide compound, preparation method and application thereof 中国科学院上海药物研究所 2023-08-11 CN disclosed
CN-114621140-A Aryl difluoro acetamide compound and preparation method and application thereof 中国科学院上海药物研究所 2022-06-14 CN disclosed
CN-108715589-B Coumarin derivative used as caspase-3 activator and application thereof 华侨大学 2021-04-20 CN disclosed
EP-2748166-B1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND USE THEREOF ASANA BIOSCIENCES LLC (US) 2018-07-11 EP disclosed
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2166860-B1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA CELLULAR THERAPIES INC (US) 2016-09-21 EP disclosed
US-20160075683-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF LI PENG (US) 2016-03-17 US disclosed
US-9062023-B2 Heterocycle compounds and uses thereof INTRA-CELLULAR THERAPIES, INC. (US) 2015-06-23 US disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 WO disclosed
EP-0726893-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-08-21 EP disclosed
US-5534525-A Lactam derivatives ZENECA LIMITED (GB) 1996-07-09 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 (3 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-20160075683-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF APP, BACE1, PYGB HRH3 1574/4885ACHE 91/4885LMNA 2952/4885
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 HRH3 2500/4885ACHE 3897/4885LMNA 2852/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 HRH3 1681/4885ACHE 1320/4885LMNA 3244/4885

“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.