SCHEMBL3304371

SCHEMBL3304371

CC(C)(C)OC(=O)C1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
MAPK1 P28482 2/20 0.38
USP30 Q70CQ3 2/20 0.34
AAK1 Q2M2I8 1/20 0.32
RORC P51449 3/20 0.32
HRH3 Q9Y5N1 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL18816243 1.00 P2RX7 (0.40) P2RX7MAPK1USP30AAK1RORC
SCHEMBL25417195 0.93 P2RX7 (0.44) P2RX7MAPK1USP30AAK1
SCHEMBL1289681 0.85 P2RX7 (0.43) P2RX7MAPK1RORC
SCHEMBL1289705 0.82 MAPK1 (0.41) P2RX7MAPK1
SCHEMBL2526358 0.82 MAPK1 (0.41) P2RX7MAPK1
SCHEMBL15202815 0.82 MAPK1 (0.41) P2RX7MAPK1
SCHEMBL19148721 0.81 P2RX7 (0.39) P2RX7MAPK1
SCHEMBL13389516 0.81 P2RX7 (0.46) P2RX7MAPK1
SCHEMBL18797582 0.81 P2RX7 (0.46) P2RX7MAPK1
SCHEMBL15166664 0.81 P2RX7 (0.46) P2RX7MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122011088-A Cyclic peptide compound and preparation method and application thereof 甫康生物科技(上海)股份有限公司 2026-05-12 CN disclosed
US-12606533-B2 3-phenylpropylamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-04-21 US disclosed
US-20250353824-A1 3-PHENYLPROPYLAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-11-20 US disclosed
WO-2025106386-A1 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2025-05-22 WO disclosed
US-20250152658-A1 CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2025-05-15 US disclosed
US-12275727-B2 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2025-04-15 US disclosed
EP-4488275-A1 COMPOUND CONTAINING FIVE-MEMBERED HETEROAROMATIC RING STRUCTURE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Yingli Pharmaceutical Co., Ltd (CN) 2025-01-08 EP disclosed
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
EP-2884976-A2 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 US disclosed
WO-2014028597-A2 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-7741326-B2 for enhancing cognitive memory in an Alzheimer's patient; 5-HT2-selective and 5-HT6 selective ligands ROCHE PALO ALTO LLC (US) 2010-06-22 US disclosed
EP-2084131-A1 INDOLE AND BENZOFURAN 2-CARBOXAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-08-05 EP disclosed
US-20080146587-A1 Indole and benzofuran 2-carboxamide derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 US disclosed
WO-2008055808-A1 INDOLE AND BENZOFURAN 2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 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 (10 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-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA IL1A, IL1B, IL1R1 P2RX7 107/4885MAPK1 1303/4885USP30 1569/4885
US-12275727-B2 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 P2RX7 634/4885MAPK1 4695/4885USP30 3961/4885
US-20250353824-A1 3-PHENYLPROPYLAMINE DERIVATIVE SF1, SF3A1, SFXN1 P2RX7 1222/4885MAPK1 701/4885USP30 394/4885
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 P2RX7 367/4885MAPK1 2974/4885USP30 3378/4885
US-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA P2RX7 1912/4885MAPK1 2640/4885USP30 3598/4885
US-20080146587-A1 Indole and benzofuran 2-carboxamide derivatives and uses thereof AR, CNR2, CNR1 P2RX7 239/4885MAPK1 3846/4885USP30 4336/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 P2RX7 4420/4885MAPK1 1455/4885USP30 2697/4885
US-12606533-B2 3-phenylpropylamine derivative SF3A1, SF1, HTR1D P2RX7 359/4885MAPK1 1850/4885USP30 2059/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR P2RX7 3639/4885MAPK1 297/4885USP30 3605/4885
US-20250152658-A1 CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA IL1R1, IL1A, IL1B P2RX7 156/4885MAPK1 853/4885USP30 1907/4885

“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.