SCHEMBL965813

SCHEMBL965813

CCNC(=O)N(CC)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.39
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL966413 0.94 L3MBTL1 (0.41) CCR5ALDH1A1GAAEPHX1L3MBTL1
SCHEMBL966645 0.92 L3MBTL1 (0.43) CCR5ALDH1A1GAAEPHX1L3MBTL1
SCHEMBL966598 0.90 L3MBTL1 (0.45) CCR5ALDH1A1GAAEPHX1L3MBTL1
SCHEMBL27689547 0.87 SLC6A4 (0.39) CCR5EPHX1KMT2A
SCHEMBL22006649 0.83 ALDH1A1 (0.38) ALDH1A1GAAEPHX1L3MBTL1KMT2A
SCHEMBL965716 0.81 CCR5 (0.39) CCR5ALDH1A1L3MBTL1NPC1KDM4E
SCHEMBL20414687 0.79 CCR5 (0.32) CCR5
SCHEMBL25480523 0.79 L3MBTL1 (0.35) CCR5ALDH1A1L3MBTL1NPC1KDM4E
SCHEMBL28027897 0.78 SLC6A2 (0.42) KDM4EKMT2ALMNA
SCHEMBL7102443 0.78 ALDH1A1 (0.38) CCR5ALDH1A1GAAEPHX1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285570-A1 THERAPEUTICALLY USEFUL CURE-PRO MOLECULES FOR E3 LIGASE MEDIATED DEGRADATION OF PROTEINS, AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY 2023-09-14 US disclosed
US-20230277553-A1 THERAPEUTIC COMPOSITION OF CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USAGE CORNELL UNIVERSITY 2023-09-07 US disclosed
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
WO-2021055376-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2021-03-25 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 (6 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-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators IL17A, IL23R, IL18 CCR5 418/4885ALDH1A1 753/4885GAA 2936/4885
US-20230285570-A1 THERAPEUTICALLY USEFUL CURE-PRO MOLECULES FOR E3 LIGASE MEDIATED DEGRADATION OF PROTEINS, AND METHODS OF MAKING AND USING THEM XIAP, CUL4A, CUL1 CCR5 3669/4885ALDH1A1 2592/4885GAA 1155/4885
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 3038/4885ALDH1A1 46/4885GAA 4540/4885
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 3105/4885ALDH1A1 482/4885GAA 3017/4885
US-20230277553-A1 THERAPEUTIC COMPOSITION OF CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USAGE BET1, BRD4, PHKB CCR5 1409/4885ALDH1A1 4450/4885GAA 1910/4885
US-20210101886-A1 IL-17A MODULATORS AND USES THEREOF IL17A, IL2, IL36G CCR5 597/4885ALDH1A1 1072/4885GAA 1944/4885

“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.