SCHEMBL967628

SCHEMBL967628

CCN(C(=O)NC)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
SLC6A2 P23975 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL29328860 0.83 CYP3A4 (0.32) CYP3A4LMNA
SCHEMBL26273974 0.79 CYP3A4 (0.30) CYP3A4
SCHEMBL967444 0.79
SCHEMBL968462 0.79 ALDH1A1 (0.42) POLB
SCHEMBL8198586 0.77
SCHEMBL21469513 0.77
SCHEMBL19633872 0.76
SCHEMBL13234086 0.76 KDM4C (0.41)
SCHEMBL12086297 0.76 POLB (0.41) POLBCYP3A4LMNA
SCHEMBL19604781 0.73

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147458-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-05-11 US disclosed
US-20210161907-A1 USE OF SMALL MOLECULE FAK ACTIVATORS TO PROMOTE MUCOSAL HEALING UNIVERSITY OF NORTH DAKOTA 2021-06-03 US disclosed
EP-2128139-B1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2013-08-07 EP disclosed
US-8470863-B2 Derivatives and analogs of chroman as functionally selective ALPHA2C adrenoreceptor agonists MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-8344156-B2 Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-01-01 US disclosed
US-7884216-B2 Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarbonitrile derivative and method for producing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-02-08 US disclosed
US-20110015406-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2011-01-20 US disclosed
EP-2263999-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE Mitsui Chemicals Agro, Inc. (JP) 2010-12-22 EP disclosed
US-20100168195-A1 DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC (JP) 2010-01-21 US disclosed
EP-2128139-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-02 EP disclosed
US-6028033-A FOR CONTROLLING UNDESIRED VEGETATION BASF AKTIENGESELLSCHAFT (DE) 2000-02-22 US disclosed
EP-0815083-A1 N-AMINOPYRIDONE DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-01-07 EP disclosed
WO-1996037471-A1 N-AMINOPYRIDONE DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 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 (5 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-20230147458-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS IL17A, IL23R, IL15 POLB 4606/4885CYP3A4 152/4885SLC6A2 4436/4885
US-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME AFF1, AFF2, PFAS POLB 3712/4885CYP3A4 211/4885SLC6A2 4716/4885
US-20110015406-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE AADAC, AFF1, AFF2 POLB 4474/4885CYP3A4 519/4885SLC6A2 4116/4885
US-20100168195-A1 DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A POLB 4033/4885CYP3A4 1017/4885SLC6A2 267/4885
US-20210161907-A1 USE OF SMALL MOLECULE FAK ACTIVATORS TO PROMOTE MUCOSAL HEALING PTK2, CTTN, TNK2 POLB 1845/4885CYP3A4 4868/4885SLC6A2 4781/4885

“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.