SCHEMBL278546

SCHEMBL278546

CC(C)CCc1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ESR1 P03372 4/20 0.34
ESR2 Q92731 1/20 0.34
HRH4 Q9H3N8 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
DAO P14920 1/20 0.32
SORT1 Q99523 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
IDO1 P14902 2/20 0.31
SYK P43405 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
SCHEMBL772467 0.88 GPR84 (0.35)
SCHEMBL439550 0.86 HIF1A (0.35)
SCHEMBL22833590 0.86
SCHEMBL20690996 0.84
SCHEMBL12259603 0.84
SCHEMBL22854400 0.84 TYR (0.33) ALDH1A1
SCHEMBL4385141 0.83 HRH3 (0.34)
SCHEMBL4376138 0.83 HRH3 (0.32) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL14048815 0.82 HRH4 (0.34) HRH4CDK1CCNB1CCNA2CDK2
SCHEMBL7618441 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
US-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer TroBio Therapeutics Pty Ltd (AU) 2023-10-26 US disclosed
US-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer TroBio Therapeutics Pty Ltd (AU) 2023-10-26 US disclosed
US-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MEDICI THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MEDICI THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF UNIV ROCKEFELLER (US) 2023-08-31 US disclosed
US-11701434-B2 Tertiary amino lipidated cationic peptides for nucleic acid delivery NUTCRACKER THERAPEUTICS, INC. (US) 2023-07-18 US disclosed
US-11701434-B2 Tertiary amino lipidated cationic peptides for nucleic acid delivery NUTCRACKER THERAPEUTICS, INC. (US) 2023-07-18 US disclosed
US-11649451-B2 Evolution of bioactive sequence-defined synthetic polymers using DNA-templated polymerization PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-05-16 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070172905-A1 Method for screening process conditions of a chemical coupling reaction and kits therefor COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-07-26 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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 (9 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-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL NOS3 2615/4885NOS1 2371/4885NOS2 3509/4885
US-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MTREX, EXOSC5, KPNA6 NOS3 4061/4885NOS1 4423/4885NOS2 4119/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL NOS3 760/4885NOS1 1033/4885NOS2 1028/4885
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF LSS, NRDC, SPOUT1 NOS3 188/4885NOS1 75/4885NOS2 89/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP NOS3 2033/4885NOS1 1600/4885NOS2 1433/4885
US-11701434-B2 Tertiary amino lipidated cationic peptides for nucleic acid delivery LNPEP, SLC7A1, APLNR NOS3 3683/4885NOS1 4258/4885NOS2 4054/4885
US-11649451-B2 Evolution of bioactive sequence-defined synthetic polymers using DNA-templated polymerization PCSK9, IL6, PCSK6 NOS3 3125/4885NOS1 3491/4885NOS2 3612/4885
US-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer NQO2, TP53, ABL1 NOS3 1307/4885NOS1 2863/4885NOS2 1993/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR NOS3 1183/4885NOS1 2060/4885NOS2 2151/4885

“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.