Sugi Predict

Sugi Predict / Compounds / SCHEMBL4670098

SCHEMBL4670098

SCHEMBL4670098

CC(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 4/20 0.72
▸ GFER P55789 2/20 0.68
▸ CASP6 P55212 1/20 0.68
▸ NPC1 O15118 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ ALDH1A1 P00352 5/20 0.65
▸ MAPK1 P28482 4/20 0.65
▸ CYP2C19 P33261 3/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ TSHR P16473 2/20 0.65
▸ MAPT P10636 5/20 0.63
▸ ALOX12 P18054 2/20 0.63
▸ GAA P10253 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ CYP2C9 P11712 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ AKR1C3 P42330 1/20 0.61
▸ CYP1A2 P05177 1/20 0.59

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
SCHEMBL15707566 0.93 AKR1C3 (0.65) USP2GFERCASP6NPC1RAB9A
SCHEMBL2881063 0.85 SMN1; SMN2 (0.65) USP2GFERCASP6NPC1RAB9A
SCHEMBL13589640 0.85 MEN1 (0.67) USP2ALDH1A1MAPK1CYP2C19MEN1
SCHEMBL15244587 0.84 ALDH1A1 (0.65) USP2ALDH1A1MAPK1CYP2C19MEN1
SCHEMBL13434096 0.84 GPR119 (0.65) USP2GFERCASP6NPC1RAB9A
SCHEMBL631962 0.83 ALDH1A1 (0.69) USP2ALDH1A1MAPK1CYP2C19MEN1
SCHEMBL27792690 0.83 AKR1C3 (0.82) USP2ALDH1A1MAPK1CYP2C19MEN1
SCHEMBL14802425 0.83 GFER (0.67) USP2GFERCASP6NPC1RAB9A
SCHEMBL1128293 0.82 GFER (0.71) GFERCASP6NPC1RAB9AALDH1A1
SCHEMBL82046 0.82 GFER (0.71) GFERCASP6NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135835-A Method for exciting C-C bond breaking acylation and application 广州中医药大学(广州中医药研究院) 2021-07-20 — — CN claimed
EP-0548798-A1 Antiviral agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-06-30 — — EP claimed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 — — US disclosed
US-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF MEDIFRON DBT INC. (KR) 2024-01-18 — — US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 — — US disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 — — EP disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 — — US disclosed
WO-2023064768-A1 G-PROTEIN-COUPLED RECEPTOR REGULATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-04-20 — — WO disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 — — US disclosed
WO-2022203399-A1 ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF 주식회사 스탠다임 2022-09-29 — — WO disclosed
CN-113135835-B Method for exciting C-C bond breaking acylation and application 广州中医药大学(广州中医药研究院) 2022-07-01 — — CN disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 — — US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 — — US disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 — — WO disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 — — US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 — — US disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 — — WO disclosed
EP-0548798-A1 Antiviral agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-06-30 — — EP disclosed
US-4663641-A LEUCO DYES; DECOLORIZING AGENTS, PIPERAZINE COMPOUND; AMIDES AND TERTIARY AMINES RICOH COMPANY, LTD. (JP) 1987-05-05 — — US disclosed
US-4598079-A MEMORY DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1986-07-01 — — 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 (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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A USP2 3982/4885GFER 3396/4885CASP6 2037/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 USP2 3288/4885GFER 4042/4885CASP6 1944/4885
US-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P USP2 1864/4885GFER 495/4885CASP6 3462/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK USP2 1715/4885GFER 3926/4885CASP6 1447/4885
US-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF OGA, OGT, ENGASE USP2 695/4885GFER 1604/4885CASP6 1631/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK USP2 1715/4885GFER 3926/4885CASP6 1447/4885

“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.