SCHEMBL13460976

SCHEMBL13460976

CC(C)CNC(=O)/C=C/CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.50
CNR1 P21554 4/20 0.50
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 2/20 0.41
MMP1 P03956 1/20 0.41
MMP8 P22894 1/20 0.41
CETP P11597 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
EPHX2 P34913 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
SCHEMBL20892856 0.82 HSD17B10 (0.40) CNR2CNR1PPARGPPARDPPARA
SCHEMBL7161352 0.80 CNR2 (0.58) CNR2CNR1PPARGPPARDPPARA
SCHEMBL23134820 0.79 CHRNB2 (0.38) CNR2CNR1PPARGPPARDPPARA
SCHEMBL9070554 0.79 ALDH1A1 (0.37) MMP1MMP8CHRNB2CHRNB4CHRNA3
SCHEMBL31336075 0.79 ALDH1A1 (0.37) MMP1MMP8CHRNB2CHRNB4CHRNA3
SCHEMBL16135672 0.79 CNR2 (0.54) CNR2CNR1PPARGPPARDPPARA
SCHEMBL26074486 0.78 CYP2D6 (0.33) CNR2CNR1PPARGPPARDPPARA
SCHEMBL9715093 0.77 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
SCHEMBL8031100 0.77 ALDH1A1 (0.50) HPGDSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL9715091 0.77 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA

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-11976075-B2 Inhibitors of the MYST family of lysine acetyl transferases Isosterix, Inc. 2024-05-07 US disclosed
US-11976075-B2 Inhibitors of the MYST family of lysine acetyl transferases Isosterix, Inc. 2024-05-07 US disclosed
WO-2023192817-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. (US) 2023-10-05 WO disclosed
US-20230303580-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. 2023-09-28 US disclosed
US-20230303580-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. 2023-09-28 US disclosed
WO-2022117051-A1 MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京鞍石生物科技有限责任公司 2022-06-09 WO disclosed
US-11008334-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-18 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-13 US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
US-8309685-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2012-11-13 US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 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 (7 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-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CNR2 3881/4885CNR1 3348/4885PPARG 2681/4885
US-20230303580-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES KAT6A, KAT6B, KAT2A CNR2 4846/4885CNR1 4778/4885PPARG 2674/4885
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CNR2 3425/4885CNR1 3237/4885PPARG 841/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 CNR2 3854/4885CNR1 4228/4885PPARG 3100/4885
US-11976075-B2 Inhibitors of the MYST family of lysine acetyl transferases KAT6A, KAT6B, KAT2A CNR2 4846/4885CNR1 4778/4885PPARG 2674/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CNR2 238/4885CNR1 495/4885PPARG 348/4885
US-11008334-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS CNR2 3425/4885CNR1 3237/4885PPARG 841/4885

“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.