Sugi Predict

Sugi Predict / Compounds / SCHEMBL3418678

SCHEMBL3418678

SCHEMBL3418678

O[C@H]1CCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.50
▸ PDPK1 O15530 1/20 0.50
▸ SLC18A3 Q16572 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ ACP3 P15309 1/20 0.45
▸ PIN1 Q13526 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ RET P07949 1/20 0.43
▸ HTR2A P28223 1/20 0.43

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
SCHEMBL57132 1.00 IDO1 (0.50) IDO1PDPK1SLC18A3CYP11B2GRIN1
SCHEMBL21114381 1.00 IDO1 (0.50) IDO1PDPK1SLC18A3CYP11B2GRIN1
SCHEMBL29544390 1.00 IDO1 (0.50) IDO1PDPK1SLC18A3CYP11B2GRIN1
SCHEMBL29457637 1.00 IDO1 (0.50) IDO1PDPK1SLC18A3CYP11B2GRIN1
SCHEMBL1355960 1.00 IDO1 (0.50) IDO1PDPK1SLC18A3CYP11B2GRIN1
SCHEMBL7866032 0.98 IDO1 (0.48) IDO1PDPK1SLC18A3CYP11B2GRIN1
Hydrochloric Acid SCHEMBL3940929 0.98 IDO1 (0.52) IDO1PDPK1SLC18A3CYP11B2GRIN1
Ammonia Solution, Strong SCHEMBL6419944 0.98 IDO1 (0.48) IDO1PDPK1SLC18A3CYP11B2GRIN1
Ethane SCHEMBL9474214 0.96 PDPK1 (0.52) IDO1PDPK1SLC18A3CYP11B2GRIN1
Methylamine SCHEMBL6994455 0.94 IDO1 (0.50) IDO1PDPK1SLC18A3CYP11B2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113122052-A Ink composition TCL集团股份有限公司 2021-07-16 — — CN claimed
EP-3782994-B1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY INC (US) 2025-07-16 — — EP disclosed
US-20250090500-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2025-03-20 — — US disclosed
US-12220401-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2025-02-11 — — US disclosed
WO-2024013209-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-01-18 — — WO disclosed
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 — — US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 — — US disclosed
EP-4116303-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER Loxo Oncology, Inc. (US) 2023-01-11 — — EP disclosed
EP-3350184-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER LOXO ONCOLOGY INC (US) 2022-10-19 — — EP disclosed
US-11471441-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2022-10-18 — — US disclosed
US-20040014992-A1 Compounds with high monoamine transporter affinity WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2004-01-22 — — US disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 — — US disclosed
EP-1366007-A2 COMPOUNDS WITH HIGH MONOAMINE TRANSPORTER AFFINITY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2003-12-03 — — EP disclosed
US-6525206-B1 2-Phenyltetrahydropyran derivatives; attention deficit disorder, hyperactivity, narcolepsy, Parkinson*s disease, obsessive-compulsive disorder, depression, dietetics, drug addiction, smoking cessation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2003-02-25 — — US disclosed
WO-2002032842-A9 COMPOUNDS WITH HIGH MONOAMINE TRANSPORTER AFFINITY HARVARD COLLEGE (US) 2003-02-20 — — WO disclosed
WO-2002032842-A2 COMPOUNDS WITH HIGH MONOAMINE TRANSPORTER AFFINITY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2002-04-25 — — WO disclosed
EP-1063290-A1 NOVEL DICARBONYLREDUCTASE AND GENE ENCODING THE SAME TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-12-27 — — EP disclosed
EP-0546123-A4 — — 1994-04-27 — — EP disclosed
EP-0546123-A1 ALPHA-SUBSTITUTED TRYPTOPHANE DIPEPTOID DERIVATIVES WARNER-LAMBERT COMPANY (US) 1993-06-16 — — EP disclosed
WO-1992004322-A1 ALPHA-SUBSTITUTED TRYPTOPHANE DIPEPTOID DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-03-19 — — 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 (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-12220401-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK IDO1 1009/4885PDPK1 255/4885SLC18A3 4785/4885
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL IDO1 1867/4885PDPK1 989/4885SLC18A3 2294/4885
US-20250090500-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK IDO1 1009/4885PDPK1 255/4885SLC18A3 4785/4885
US-20040014992-A1 Compounds with high monoamine transporter affinity SLC6A3, SLC6A2, SLC6A4 IDO1 465/4885PDPK1 1351/4885SLC18A3 6/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK IDO1 1009/4885PDPK1 255/4885SLC18A3 4785/4885
US-11471441-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK IDO1 1009/4885PDPK1 255/4885SLC18A3 4785/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK IDO1 1009/4885PDPK1 255/4885SLC18A3 4785/4885

“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.