SCHEMBL400069

SCHEMBL400069

NCC1OC(C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 19/20 1.00
KDM4E B2RXH2 3/20 1.00
MAPT P10636 3/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
TP53 P04637 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2D6 P10635 2/20 1.00
CYP2C19 P33261 2/20 1.00
NPC1 O15118 1/20 1.00
ALDH1A1 P00352 1/20 1.00
DRD2 P14416 1/20 1.00
HPGD P15428 1/20 1.00
NFKB1 P19838 1/20 1.00
MAPK1 P28482 1/20 1.00
THPO P40225 1/20 1.00
MTOR P42345 1/20 1.00
RAB9A P51151 1/20 1.00
HIF1A Q16665 1/20 1.00

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
SCHEMBL20785596 1.00 DRD1 (1.00) DRD1KDM4EMAPTMEN1KMT2A
SCHEMBL20785604 1.00 DRD1 (1.00) DRD1KDM4EMAPTMEN1KMT2A
SCHEMBL7451235 1.00 DRD1 (1.00) DRD1KDM4EMAPTMEN1KMT2A
SCHEMBL7445628 1.00 DRD1 (1.00) DRD1KDM4EMAPTMEN1KMT2A
SCHEMBL1081313 1.00 DRD1 (1.00) DRD1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL30928211 0.99 DRD1 (1.00) DRD1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL30914176 0.99 DRD1 (1.00) DRD1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL29390394 0.99 DRD1 (1.00) DRD1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1878106 0.99 DRD1 (1.00) DRD1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5808372 0.99 DRD1 (1.00) DRD1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133537-A1 3 - (1' - ADAMANTYL) - 1 - AMINOMETHYL - 3, 4 - DIHYDRO - 5, 6 - DIHYDROXY - 1H - 2 - BENZOPYRAN FOR USE IN THE TREATMENT OF A DISEASE ASSOCIATED WITH BETA-AMYLOID INDUCED TOXICITY THE UNIVERSITY OF MANCHESTER (GB) 2015-05-14 US claimed
EP-2844244-A1 3- (1' -ADAMANTYL) - 1 - AMINOMETHYL - 3, 4 - DIHYDRO - 5, 6 - DIHYDROXY - 1H - 2 - BENZOPYRAN FOR USE IN THE TREATMENT OF A DISEASE ASSOCIATED WITH BETA-AMYLOID INDUCED TOXICITY The University Of Manchester (GB) 2015-03-11 EP claimed
WO-2013156782-A1 3- (1' -ADAMANTYL) - 1 - AMINOMETHYL - 3, 4 - DIHYDRO - 5, 6 - DIHYDROXY - 1H - 2 - BENZOPYRAN FOR USE IN THE TREATMENT OF A DISEASE ASSOCIATED WITH BETA-AMYLOID INDUCED TOXICITY THE UNIVERSITY OF MANCHESTER (GB) 2013-10-24 WO claimed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP claimed
US-20210038561-A1 METHODS OF TREATING FIBROTIC PATHOLOGIES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-02-11 US disclosed
US-20160317474-A1 Managing Visual Dysfunction or Loss of Vision for Diabetic Subjects UNIV EMORY (US) 2016-11-03 US disclosed
WO-2015095257-A2 MANAGING VISUAL DYSFUNCTION OR LOSS OF VISION FOR DIABETIC SUBJECTS EMORY UNIVERSITY (US) 2015-06-25 WO disclosed
US-20150133537-A1 3 - (1' - ADAMANTYL) - 1 - AMINOMETHYL - 3, 4 - DIHYDRO - 5, 6 - DIHYDROXY - 1H - 2 - BENZOPYRAN FOR USE IN THE TREATMENT OF A DISEASE ASSOCIATED WITH BETA-AMYLOID INDUCED TOXICITY THE UNIVERSITY OF MANCHESTER (GB) 2015-05-14 US disclosed
US-20150133537-A1 3 - (1' - ADAMANTYL) - 1 - AMINOMETHYL - 3, 4 - DIHYDRO - 5, 6 - DIHYDROXY - 1H - 2 - BENZOPYRAN FOR USE IN THE TREATMENT OF A DISEASE ASSOCIATED WITH BETA-AMYLOID INDUCED TOXICITY THE UNIVERSITY OF MANCHESTER (GB) 2015-05-14 US disclosed
US-20150133537-A1 3 - (1' - ADAMANTYL) - 1 - AMINOMETHYL - 3, 4 - DIHYDRO - 5, 6 - DIHYDROXY - 1H - 2 - BENZOPYRAN FOR USE IN THE TREATMENT OF A DISEASE ASSOCIATED WITH BETA-AMYLOID INDUCED TOXICITY THE UNIVERSITY OF MANCHESTER (GB) 2015-05-14 US disclosed
US-20150133537-A1 3 - (1' - ADAMANTYL) - 1 - AMINOMETHYL - 3, 4 - DIHYDRO - 5, 6 - DIHYDROXY - 1H - 2 - BENZOPYRAN FOR USE IN THE TREATMENT OF A DISEASE ASSOCIATED WITH BETA-AMYLOID INDUCED TOXICITY THE UNIVERSITY OF MANCHESTER (GB) 2015-05-14 US disclosed
EP-2844244-A1 3- (1' -ADAMANTYL) - 1 - AMINOMETHYL - 3, 4 - DIHYDRO - 5, 6 - DIHYDROXY - 1H - 2 - BENZOPYRAN FOR USE IN THE TREATMENT OF A DISEASE ASSOCIATED WITH BETA-AMYLOID INDUCED TOXICITY The University Of Manchester (GB) 2015-03-11 EP disclosed
US-20080261950-A1 Compounds that inhibit cholinesterase COLUCID PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents SENTION, INC. 2007-11-29 US disclosed
US-20050096387-A1 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents SENTION, INC. (US) 2005-05-05 US disclosed
WO-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 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 (5 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-20150133537-A1 3 - (1' - ADAMANTYL) - 1 - AMINOMETHYL - 3, 4 - DIHYDRO - 5, 6 - DIHYDROXY - 1H - 2 - BENZOPYRAN FOR USE IN THE TREATMENT OF A DISEASE ASSOCIATED WITH BETA-AMYLOID INDUCED TOXICITY APP, PSEN1, BACE1 DRD1 540/4885KDM4E 3160/4885MAPT 13/4885
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents ACHE, BCHE, CHAT DRD1 2439/4885KDM4E 201/4885MAPT 1660/4885
US-20210038561-A1 METHODS OF TREATING FIBROTIC PATHOLOGIES MMP1, MMP8, COL2A1 DRD1 4882/4885KDM4E 3556/4885MAPT 3670/4885
US-20050096387-A1 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents ACHE, BCHE, CHAT DRD1 2365/4885KDM4E 136/4885MAPT 1588/4885
US-20080261950-A1 Compounds that inhibit cholinesterase ACHE, BCHE, CHAT DRD1 1649/4885KDM4E 1137/4885MAPT 726/4885

“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.