SCHEMBL3974591

SCHEMBL3974591

COc1cc2ccnc(C)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
PDE10A Q9Y233 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ACHE P22303 3/20 0.54
USP2 O75604 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
MAPK1 P28482 2/20 0.54
CYP2C19 P33261 2/20 0.54
PDE3B Q13370 2/20 0.54
PDE3A Q14432 2/20 0.54
HIF1A Q16665 2/20 0.54
RAB9A P51151 2/20 0.54
PDE2A O00408 1/20 0.54
ABCC4 O15439 1/20 0.54
PDE5A O76074 1/20 0.54
ABCB11 O95342 1/20 0.54

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
SCHEMBL30458203 1.00 CYP3A4 (0.54) CYP3A4PDE10ASMN1; SMN2ACHEUSP2
SCHEMBL17278085 0.89 MAPT (0.45) CYP3A4PDE10ASMN1; SMN2ACHEUSP2
SCHEMBL6640168 0.86 TNF (0.47) CYP3A4PDE10ASMN1; SMN2ACHEUSP2
SCHEMBL16431495 0.86 APAF1 (0.48) CYP3A4PDE10ASMN1; SMN2ACHEUSP2
SCHEMBL14538274 0.86 TRPA1 (0.54) CYP3A4PDE10ASMN1; SMN2ACHEUSP2
SCHEMBL16431829 0.86 APAF1 (0.48) CYP3A4PDE10ASMN1; SMN2ACHEUSP2
SCHEMBL15647963 0.79 TNF (0.59) CYP3A4PDE10ASMN1; SMN2ACHEUSP2
SCHEMBL20813447 0.79 CYP3A4 (0.53) CYP3A4PDE10ASMN1; SMN2ACHEUSP2
SCHEMBL5358941 0.79 TNF (0.57) CYP3A4PDE10ASMN1; SMN2ACHEUSP2
SCHEMBL15595899 0.79 SMN1; SMN2 (0.57) CYP3A4PDE10ASMN1; SMN2ACHEUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104072495-B The preparation method of natural product alkaloid A aptamine HEBEI UNIVERSITY OF TECHNOLOGY (CN) 2015-10-07 CN claimed
CN-104072495-A Method for preparing natural product alkaloid Aaptamine UNIV HEBEI TECHNOLOGY 2014-10-01 CN claimed
US-20260102327-A1 COSMETIC COMPOSITION FOR SKIN IMPROVEMENT CONTAINING LOW-MOLECULAR-WEIGHT COLLAGEN, COLLAGEN WATER, OR COLLAGEN EXTRACT SOOY-K CO., LTD. (KR) 2026-04-16 US disclosed
US-20260007711-A1 NUTRACEUTICAL FORMULATIONS TO PREVENT, TREAT, AND INHIBIT EXCESS CYTOKINES, SARS-CoV-2 SPIKE PROTEINS, AND mRNA VACCINE SPIKE PROTEIN PONO LIFESTYLE, LLC (US) 2026-01-08 US disclosed
US-12357667-B2 Nutraceutical formulations to prevent, treat, and inhibit excess cytokines, SARS-CoV-2 spike proteins, and mRNA vaccine spike proteins PONO LIFESTYLE, LLC (US) 2025-07-15 US disclosed
US-20240307474-A1 Fermented Uni-sourced Nanoemulsion of Nigella sativa or Cannabis sativa For Use in Medical, Cosmetic, and Recreational Indications with a Method of Its Production and Use APEX MEDICAL DEVICE DESIGN, LLC (US) 2024-09-19 US disclosed
EP-4366775-A1 FERMENTED UNI-SOURCED NANOEMULSION OF NIGELLA SATIVA OR CANNABIS SATIVA FOR USE IN MEDICAL, COSMETIC, AND RECREATIONAL INDICATIONS WITH A METHOD OF ITS PRODUCTION AND USE Apex Medical Device Design, LLC (US) 2024-05-15 EP disclosed
EP-4327882-A2 ENPP1 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER The Board of Trustees of the Leland Stanford Junior University (US) 2024-02-28 EP disclosed
US-20240016874-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING CORONAVIRUSES NOVATEK THERAPEUTICS, LLC (US) 2024-01-18 US disclosed
EP-4232160-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING CORONAVIRUSES Novatek Therapeutics, LLC (US) 2023-08-30 EP disclosed
US-20230138994-A1 AN ANIMAL AND LIVESTOCK FEED SUPPLEMENT EDWARD BASILIANUS BASUKI NUGROHO (ID) 2023-05-04 US disclosed
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US disclosed
US-5889018-A ADMINISTERING TO THE PATIENT SUFFERING FROM ANXIETY A 1-STYRYLISOQUINOLINE COMPOUND AS AN ANXIOLYTIC AGENT EGIS GYOGYSZERGYAR RT. (HU) 1999-03-30 US disclosed
EP-0680953-A1 1-[Styryl]- and 1-[2'-(heteroaryl)-ethenyl]-isoquinoline derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1995-11-08 EP disclosed
US-5272270-A Process for the preparation of 1-alkylisoquinoline derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-12-21 US disclosed
EP-0471303-A1 Process for the preparation of 1-alkylisoquinoline derivatives Consortium für elektrochemische Industrie GmbH (DE) 1992-02-19 EP disclosed
EP-0158312-B1 1-CYCLOHEXYL-3,4-DIHYDROISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENT CONTAINING THEM RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1990-09-12 EP disclosed
EP-0158312-A2 1-Cyclohexyl-3,4-dihydroisoquinoline derivatives, process for their preparation and medicament containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1985-10-16 EP disclosed
US-4232160-A Isoquinoline propionamides exhibiting analgesic properties MILES LABORATORIES, INC. (US) 1980-11-04 US disclosed
US-3994891-A VASODILATORS ARMOUR PHARMACEUTICAL COMPANY (US) 1976-11-30 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 (3 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-20260102327-A1 COSMETIC COMPOSITION FOR SKIN IMPROVEMENT CONTAINING LOW-MOLECULAR-WEIGHT COLLAGEN, COLLAGEN WATER, OR COLLAGEN EXTRACT COL2A1, COL14A1, COL1A1 CYP3A4 3657/4885PDE10A 1694/4885SMN1; SMN2 3003/4885
US-20260007711-A1 NUTRACEUTICAL FORMULATIONS TO PREVENT, TREAT, AND INHIBIT EXCESS CYTOKINES, SARS-CoV-2 SPIKE PROTEINS, AND mRNA VACCINE SPIKE PROTEIN VDR, RNMT, CD14 CYP3A4 3159/4885PDE10A 4783/4885SMN1; SMN2 3705/4885
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, TUBB6, DNMT1 CYP3A4 526/4885PDE10A 3889/4885SMN1; SMN2 4539/4885

“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.