SCHEMBL4854037

SCHEMBL4854037

NC(=O)CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
CXCR4 P61073 1/20 0.61
CCR3 P51677 1/20 0.61
BCHE P06276 2/20 0.59
ACHE P22303 2/20 0.59

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
Hydrochloric Acid SCHEMBL9538343 0.98 GAA (0.63) GAACXCR4CCR3BCHEACHE
Hydrochloric Acid SCHEMBL9373038 0.98 GAA (0.63) GAACXCR4CCR3BCHEACHE
SCHEMBL6747206 0.87 CXCR4 (0.65) GAACXCR4CCR3BCHEACHE
Hydrochloric Acid SCHEMBL9537230 0.86 BCHE (0.63) GAACXCR4CCR3BCHEACHE
SCHEMBL4702875 0.85 SIGMAR1 (0.52) ACHE
SCHEMBL8006204 0.85 CCR3 (0.63) CCR3ACHE
SCHEMBL26096555 0.85 ACHE (0.72) GAACCR3BCHEACHE
SCHEMBL4505679 0.84 ACHE (0.63) CXCR4CCR3BCHEACHE
SCHEMBL15338755 0.84 CXCR4 (0.61) GAACXCR4CCR3BCHEACHE
Hydrochloric Acid SCHEMBL8825453 0.84 BCHE (0.62) GAACXCR4CCR3BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US claimed
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP claimed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO claimed
EP-3946416-A2 AGONISTS OF ADIPONECTIN Bayer Aktiengesellschaft (DE) 2022-02-09 EP disclosed
CN-104955985-B Etching solution, replenishment solution, and method for forming copper wiring MEC股份有限公司 2018-07-20 CN disclosed
US-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
US-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
EP-2393794-B1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS UNIV ILLINOIS (US) 2017-03-22 EP disclosed
US-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-12-03 US disclosed
US-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-12-03 US disclosed
US-9102661-B2 Design, synthesis and evaluation of procaspase activating compounds as personalized anti-cancer drugs THE BOARD OF TRUSTEES OF THE UNIVERSITY ILLINOIS (US) 2015-08-11 US disclosed
WO-2010091382-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-08-12 WO disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
EP-1056771-B1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-11-30 EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 US disclosed
EP-1056771-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2000-12-06 EP disclosed
WO-1999043699-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-09-02 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 (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-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS CASP3, CASP6, BAX GAA 507/4885CXCR4 4372/4885CCR3 2944/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A GAA 1977/4885CXCR4 2741/4885CCR3 1582/4885

“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.