SCHEMBL965716

SCHEMBL965716

CCN(C(=O)NC)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.35
HSD11B1 P28845 1/20 0.31
DPP4 P27487 2/20 0.31

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
SCHEMBL969305 0.94 L3MBTL1 (0.41) CCR5L3MBTL1NPC1KDM4EALDH1A1
SCHEMBL970246 0.92 L3MBTL1 (0.44) CCR5L3MBTL1NPC1KDM4EALDH1A1
SCHEMBL968899 0.90 L3MBTL1 (0.46) L3MBTL1NPC1KDM4EALDH1A1MEN1
SCHEMBL9008706 0.87 SLC6A4 (0.39) CCR5
SCHEMBL25570809 0.81 CCR5 (0.49) CCR5
SCHEMBL25480523 0.81 L3MBTL1 (0.35) CCR5L3MBTL1NPC1KDM4EALDH1A1
SCHEMBL965813 0.81 CCR5 (0.39) CCR5L3MBTL1NPC1KDM4EALDH1A1
SCHEMBL8426360 0.80 CCR5 (0.32) CCR5
SCHEMBL8427548 0.80 CCR5 (0.32) CCR5
SCHEMBL7102443 0.79 ALDH1A1 (0.38) CCR5L3MBTL1NPC1KDM4EALDH1A1

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
WO-2013134298-A1 RAF INHIBITOR COMPOUNDS DECIPHERA PHARMACEUTICALS, LLC (US) 2013-09-12 WO claimed
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators DICE ALPHA, INC. (US) 2022-03-15 US disclosed
US-20210101886-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. 2021-04-08 US disclosed
US-10779540-B2 Benzamide compounds and their use as herbicides BASF SE (DE) 2020-09-22 US disclosed
EP-3390372-B1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2020-06-03 EP disclosed
WO-2017102275-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-06-22 WO disclosed
WO-2013134298-A1 RAF INHIBITOR COMPOUNDS DECIPHERA PHARMACEUTICALS, LLC (US) 2013-09-12 WO 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-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-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

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-10779540-B2 Benzamide compounds and their use as herbicides DDT, DNPH1, BBOX1 CCR5 4435/4885L3MBTL1 2635/4885NPC1 3946/4885
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators IL17A, IL23R, IL18 CCR5 418/4885L3MBTL1 4729/4885NPC1 3772/4885
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 CCR5 3038/4885L3MBTL1 4698/4885NPC1 1636/4885
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 CCR5 3105/4885L3MBTL1 4049/4885NPC1 1616/4885
US-20210101886-A1 IL-17A MODULATORS AND USES THEREOF IL17A, IL2, IL36G CCR5 597/4885L3MBTL1 4766/4885NPC1 2643/4885

“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.