SCHEMBL1114939

SCHEMBL1114939

COc1cc2c(cc1OC)C(=O)C(Cc1ccncc1)C2

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 6/20 0.81
▸ CYP19A1 P11511 3/20 0.71
▸ ACHE P22303 10/20 0.70

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
SCHEMBL6382100 0.87 PDE4D (0.71) PDE4DCYP19A1ACHE
SCHEMBL15700137 0.86 ACHE (0.80) PDE4DACHE
SCHEMBL6378133 0.83 CYP19A1 (0.81) PDE4DCYP19A1ACHE
SCHEMBL6378154 0.83 CYP19A1 (1.00) PDE4DCYP19A1
SCHEMBL12306070 0.82 CYP19A1 (0.65) PDE4DCYP19A1ACHE
SCHEMBL17320351 0.82 PDE4D (0.58) PDE4DACHE
SCHEMBL6383533 0.81 PDE4D (0.57) PDE4DCYP19A1ACHE
SCHEMBL15906580 0.81 ACHE (0.58) PDE4DACHE
SCHEMBL6381232 0.79 CYP19A1 (1.00) PDE4DCYP19A1ACHE
Hydrochloric Acid SCHEMBL2331841 0.79 ACHE (0.98) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 — — CN claimed
CN-111265524-A Compositions containing mixtures of indene or indane derivatives and uses thereof 黄泳华 2020-06-12 — — CN claimed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 — — CN disclosed
CN-111265524-A Compositions containing mixtures of indene or indane derivatives and uses thereof 黄泳华 2020-06-12 — — CN disclosed
US-9376387-B2 Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents INSA INST NAT DES SCIENCES APPLIQUEES DE ROUEN (FR) 2016-06-28 — — US disclosed
US-9376387-B2 Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents INSA INST NAT DES SCIENCES APPLIQUEES DE ROUEN (FR) 2016-06-28 — — US disclosed
US-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (FR) 2015-12-10 — — US disclosed
US-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (FR) 2015-12-10 — — US disclosed
EP-2278970-B1 PROCESS FOR THE PREPARATION OF DONEPEZIL HYDROCHLORIDE CIPLA LTD (IN) 2015-04-22 — — EP disclosed
EP-2278970-B1 PROCESS FOR THE PREPARATION OF DONEPEZIL HYDROCHLORIDE CIPLA LTD (IN) 2015-04-22 — — EP disclosed
US-8987458-B2 Process for the preparation of donepezil hydrochloride CIPLA LIMITED (IN) 2015-03-24 — — US disclosed
WO-2005003092-A1 PREPARATION OF INTERMEDIATES FOR ACETYL CHOLINESTERASE INHIBITORS HETERO DRUGS LIMITED (IN) 2005-01-13 — — WO disclosed
WO-2005003092-A1 PREPARATION OF INTERMEDIATES FOR ACETYL CHOLINESTERASE INHIBITORS HETERO DRUGS LIMITED (IN) 2005-01-13 — — WO disclosed
WO-2004082685-A1 PROCESS FOR THE PREPARATION OF DONEPEZIL AND DERIVATIVES THEREOF RANBAXY LABORATORIES LIMITED (IN) 2004-09-30 — — WO disclosed
US-6706741-B2 ALZHEIMER*S DISEASE EISAI CO., LTD. (JP) 2004-03-16 — — US disclosed
US-20030069289-A1 Acetylcholinesterase inhibitors containing 1-benzyl-pyridinium salts EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-04-10 — — US disclosed
EP-1285656-A1 ACETYLCHOLINESTERASE INHIBITORS CONTAINING 1-BENZYL- PYRIDINIUM SALTS Eisai Co., Ltd. (JP) 2003-02-26 — — EP disclosed
US-6252081-B1 REDUCING OF THE COORRESPONDING QUATERNARY AMMONIUM SALT EISAI CO., LTD. (JP) 2001-06-26 — — US disclosed
EP-1047674-A1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVES Eisai Co., Ltd. (JP) 2000-11-02 — — EP disclosed
WO-1999036405-A1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVE EISAI CO., LTD. (JP) 1999-07-22 — — 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 (2 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-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS CBR3, CBR1, CYB5R3 PDE4D 4191/4885CYP19A1 791/4885ACHE 675/4885
US-20030069289-A1 Acetylcholinesterase inhibitors containing 1-benzyl-pyridinium salts ACHE, CHRM1, BCHE PDE4D 1506/4885CYP19A1 1333/4885ACHE 1/4885

“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.

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