SCHEMBL67744

SCHEMBL67744

COc1cc(CCN)ccc1OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
ATM Q13315 1/20 0.68
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
BLM P54132 1/20 0.64
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
APP P05067 1/20 0.60
ABCB1 P08183 2/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
BCHE P06276 1/20 0.57

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
SCHEMBL30028263 1.00 KDM4E (0.68) KDM4EATMCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1298567 0.98 KDM4E (0.66) KDM4EATMCYP1A2CYP3A4CYP2D6
SCHEMBL2742565 0.94 KDM4E (0.68) KDM4EATMCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL17821823 0.93 KDM4E (0.66) KDM4EATMCYP1A2CYP3A4CYP2D6
SCHEMBL5209173 0.91 MTNR1A (0.64) KDM4EATMCYP1A2CYP3A4CYP2D6
SCHEMBL3272392 0.91 SLC2A1 (0.54) KDM4EATMCYP1A2CYP3A4CYP2D6
SCHEMBL31040310 0.90 KDM4E (0.54) KDM4EATMCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5628566 0.89 SLC2A1 (0.52) KDM4EATMCYP1A2CYP3A4CYP2D6
SCHEMBL3712764 0.88 MEN1 (0.60) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23206799 0.88 KDM4E (0.59) KDM4EATMCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536584-B Synthesis method of norlinderane hydrochloride 珠海润都制药股份有限公司 2024-07-05 CN disclosed
WO-2023109802-A1 TRICYCLIC FUSED HETEROCYCLIC PDE3/4 DUAL INHIBITOR AND USE THEREOF 海思科医药集团股份有限公司 2023-06-22 WO disclosed
WO-2023109802-A1 TRICYCLIC FUSED HETEROCYCLIC PDE3/4 DUAL INHIBITOR AND USE THEREOF 海思科医药集团股份有限公司 2023-06-22 WO disclosed
CN-115536584-A Synthetic method of higenamine hydrochloride 珠海润都制药股份有限公司 2022-12-30 CN disclosed
US-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2022-12-08 US disclosed
CN-115260185-A Deuterated derivatives of corydaline and stepholidine and preparation method thereof 杨征 2022-11-01 CN disclosed
EP-3438108-B1 PHENYL [A]INDOLE[2,3-G]QUINOLIZINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-08-10 EP disclosed
EP-2848617-B1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-01-12 EP disclosed
CN-109071541-B Phenyl [ a ] indole [2,3-g ] quinolizine compound, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2021-06-18 CN disclosed
WO-2021067490-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2021-04-08 WO disclosed
WO-1997014677-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID DERIVATIVES AS MICROBICIDES NOVARTIS AG (CH) 1997-04-24 WO disclosed
EP-0618900-B1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AG (DE) 1997-03-12 EP disclosed
US-5519034-A ANALGESICS THE BOOTS COMPANY PLC (GB) 1996-05-21 US disclosed
EP-0618900-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. BOOTS CO PLC (GB) 1994-10-12 EP disclosed
WO-1993013073-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed
US-4612313-A Pharmaceutical phenylacetonitrile derivatives BOEHRINGER MANNHEIM GMBH (DE) 1986-09-16 US disclosed
EP-0175249-A2 Phenylacetonitrile derivatives Roche Diagnostics GmbH (DE) 1986-03-26 EP disclosed
US-4191765-A 1-Aryloxy-2-hydroxy-3-aminopropanes HOECHST AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed
US-4107165-A ANTICOAGULANTS ENDO LABORATORIES (US) 1978-08-15 US disclosed
US-4001244-A 1-ARYL-3,4-DIHYDRO-2(1H)-ISOQUINOLINE CARBONYL CHLORIDES G. D. SEARLE & CO. (US) 1977-01-04 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 (1 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-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY LIPC, FABP1, CPT1A KDM4E 2429/4885ATM 1177/4885CYP1A2 479/4885

“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.