SCHEMBL3096843

SCHEMBL3096843

c1c[nH]c(N2CCNCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PLD1 Q13393 2/20 0.44
ADRB2 P07550 2/20 0.44
NCF1 P14598 2/20 0.44
HTR3A P46098 1/20 0.43
HTR2C P28335 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ALOX15 P16050 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL4456263 0.98 KDM4E (0.47) KDM4EALDH1A1PLD1ADRB2NCF1
SCHEMBL1271673 0.88 KDM4E (0.41) KDM4EALDH1A1PLD1ADRB2NCF1
SCHEMBL300491 0.83 ALOX15 (0.41) KDM4EALDH1A1ALOX15
SCHEMBL311710 0.81 BCHE (0.42) ALDH1A1HRH3ALOX15
Hydrochloric Acid SCHEMBL9200760 0.81 ALOX15 (0.39) KDM4EALDH1A1HTR2CHTR2AALOX15
Hydrochloric Acid SCHEMBL29375122 0.79 BCHE (0.41) KDM4EALDH1A1HRH3ALOX15
SCHEMBL6840293 0.78 NPC1 (0.41) HTR3AHRH3HTR6
SCHEMBL6904489 0.78 TP53 (0.45) KDM4EALOX15
SCHEMBL21047581 0.76 HIPK2 (0.42) ALDH1A1ALOX15
SCHEMBL5891722 0.75 HIPK2 (0.37) ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059305-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE Novartis Ag (CH) 2009-05-20 EP claimed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US claimed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 WO claimed
EP-1381594-A1 UREA COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP claimed
WO-2002083642-A1 COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO claimed
JP-7033744-A None JP disclosed
CN-120192314-A Aryl heterocycle Kv1.3 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2025-06-24 CN disclosed
CN-118103366-A Certain 2, 5-diazabicyclo [4.2.0] octanes as GLP-1 receptor modulators 阿斯利康(瑞典)有限公司 2024-05-28 CN disclosed
CN-117946111-A Aryl heterocycle Kv1.3 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-04-30 CN disclosed
US-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2022-09-08 US disclosed
CN-114502163-A Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors 安吉昂生物医药公司 2022-05-13 CN disclosed
EP-3290101-A1 METHOD FOR PRODUCING SUBSTANCE-SELECTIVE SEPARATING MEMBRANES AND THEIR USE Nanoscience for life GmbH & Co. KG (DE) 2018-03-07 EP disclosed
JP-H0733744-A IMIDAZOLE DERIVATIVE AND ITS SALT MEIJI SEIKA KAISHA LTD 1995-02-03 JP disclosed
EP-0300726-B1 PIPERAZINYL DERIVATES OF PURINES AND ISOSTERES THEREOF AS HYPOGLYCEMIC AGENTS MERCK & CO. INC. (US) 1993-09-22 EP disclosed
EP-0233051-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1993-09-15 EP disclosed
EP-0216775-B1 CARBOXYLIC ACID ESTER DERIVATIVES OF DEGLUCOTEICOPLANIN GRUPPO LEPETIT S.p.A. (IT) 1989-05-03 EP disclosed
US-4806536-A Piperazinyl-substituted pyridine and imidazole anti-arrhythmic agents PFIZER, INC. (US) 1989-02-21 US disclosed
EP-0300726-A1 Piperazinyl derivates of purines and isosteres thereof as hypoglycemic agents MERCK & CO. INC. (US) 1989-01-25 EP disclosed
CN-87100652-A ANTI-DYSRHYTHMIA AGENTS 1987-08-19 CN disclosed
US-4588811-A GREENISH YELLOW DYES FOR PAPER CIBA-GEIGY CORPORATION (US) 1986-05-13 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 (2 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-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ROCK1, ROCK2, CIT KDM4E 2774/4885ALDH1A1 3568/4885PLD1 1637/4885
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ADRA2C, ADRB2, ADRA2A KDM4E 3808/4885ALDH1A1 568/4885PLD1 3783/4885

“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.