SCHEMBL13439595

SCHEMBL13439595

CCOC(=O)C(C)(C)N1CCC(NCc2ccc(-c3ccc(O)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.46
▸ BACE1 P56817 3/20 0.46
▸ BCHE P06276 1/20 0.41
▸ HRH3 Q9Y5N1 5/20 0.41
▸ AKT1 P31749 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TEAD1 P28347 1/20 0.39
▸ AXL P30530 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ DRD4 P21917 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTR5A P47898 1/20 0.36

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
SCHEMBL14223080 0.90 ACHE (0.48) ACHEBACE1BCHEHRH3MEN1
SCHEMBL2802000 0.88 TEAD1 (0.53) ACHEBACE1BCHETEAD1MCHR1
SCHEMBL2806279 0.86 BCHE (0.52) ACHEBACE1BCHEHRH3TEAD1
SCHEMBL14216185 0.86 ACHE (0.45) ACHEBACE1BCHEHRH3MEN1
SCHEMBL13159621 0.79 ACHE (0.45) ACHEBACE1BCHEHRH3AKT1
SCHEMBL3631495 0.78 TEAD1 (0.52) ACHEBACE1BCHETEAD1DRD4
SCHEMBL2804476 0.78 TEAD1 (0.56) ACHEBACE1BCHEHRH3TEAD1
SCHEMBL3797015 0.76 BCHE (0.54) ACHEBACE1BCHEHRH3MEN1
SCHEMBL2802531 0.76 TEAD1 (0.54) ACHEBACE1BCHEHRH3TEAD1
SCHEMBL14223527 0.74 SLC6A3 (0.39) HRH3MEN1RAB9AKMT2ATEAD1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150379-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2013-06-13 — — US disclosed
US-7705005-B2 Bicyclic heteroaromatic compounds GLAXO GROUP LIMITED (GB) 2010-04-27 — — US disclosed
WO-2008140449-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 — — WO disclosed
WO-2008140450-A1 METHODS OF TREATMENT AND PREVENTION OF METABOLIC BONE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 — — WO disclosed
WO-2008141176-A1 METHODS OF TREATMENT OF SKIN ULCERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-11-20 — — WO disclosed
US-20080280829-A1 METHODS OF TREATMENT AND PREVENTION OF METABOLIC BONE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-13 — — US disclosed
US-20080103156-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-05-01 — — US disclosed
WO-2008048867-A2 BICYCLIC HETEROAROMATIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-24 — — WO disclosed
WO-2008048866-A2 BICYCLIC HETEROAROMATIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-24 — — WO disclosed
US-20080090851-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — US disclosed
US-20080090853-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — US disclosed
US-20080090852-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — 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 (6 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-20080280829-A1 METHODS OF TREATMENT AND PREVENTION OF METABOLIC BONE DISEASES AND DISORDERS ENPP2, PLA2G12A, PLA2G12B ACHE 753/4885BACE1 1484/4885BCHE 624/4885
US-20080090851-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 ACHE 3983/4885BACE1 280/4885BCHE 2441/4885
US-20080090852-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 ACHE 4187/4885BACE1 275/4885BCHE 2544/4885
US-20130150379-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, PLA2G1B, PLA2G2A ACHE 34/4885BACE1 74/4885BCHE 76/4885
US-20080090853-A1 Bicyclic Heteroaromatic Compounds GPR6, CNR1, NR3C1 ACHE 4476/4885BACE1 3869/4885BCHE 2596/4885
US-20080103156-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 ACHE 3983/4885BACE1 280/4885BCHE 2441/4885

“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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