SCHEMBL3797015

SCHEMBL3797015

COC(=O)C(C)(C)N1CCC(NCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.54
ACHE P22303 2/20 0.54
BACE1 P56817 2/20 0.54
HTR2C P28335 2/20 0.44
EPHX2 P34913 5/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
TEAD1 P28347 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
SCN9A Q15858 1/20 0.41
PPARA Q07869 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL2806279 0.91 BCHE (0.52) BCHEACHEBACE1HTR2CEPHX2
SCHEMBL2808223 0.90 BCHE (0.51) BCHEACHEBACE1HTR2CEPHX2
SCHEMBL2804476 0.87 TEAD1 (0.56) BCHEACHEBACE1HRH3TEAD1
SCHEMBL14223080 0.85 ACHE (0.48) BCHEACHEBACE1HRH3TEAD1
SCHEMBL14223527 0.79 SLC6A3 (0.39) HRH3TEAD1MEN1KMT2ADRD4
SCHEMBL2802531 0.79 TEAD1 (0.54) BCHEACHEBACE1HRH3TEAD1
SCHEMBL2802000 0.78 TEAD1 (0.53) BCHEACHEBACE1EPHX2TEAD1
SCHEMBL2802651 0.77 TEAD1 (0.53) BCHEACHEBACE1EPHX2TEAD1
SCHEMBL3631495 0.76 TEAD1 (0.52) BCHEACHEBACE1EPHX2TEAD1
SCHEMBL13439595 0.76 ACHE (0.46) BCHEACHEBACE1HRH3TEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2977452-A2 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2016-01-27 EP disclosed
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY 2015-07-02 US disclosed
EP-2152865-B1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS UNIV JEFFERSON (US) 2015-04-15 EP disclosed
US-8962633-B2 Methods of treatment and prevention of metabolic bone diseases and disorders THOMAS JEFFERSON UNIVERSITY (US) 2015-02-24 US disclosed
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
EP-2152865-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2010-02-17 EP disclosed
EP-2083625-A2 BICYCLIC HETEROAROMATIC COMPOUNDS Glaxo Group Limited (GB) 2009-08-05 EP 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
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
US-20080103156-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-05-01 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
US-20080090851-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 US disclosed
US-20080090851-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 US disclosed
US-20080090851-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
US-20080090852-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 BCHE 624/4885ACHE 753/4885BACE1 1484/4885
US-20080090851-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 BCHE 2441/4885ACHE 3983/4885BACE1 280/4885
US-20080090852-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 BCHE 2544/4885ACHE 4187/4885BACE1 275/4885
US-20130150379-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, PLA2G1B, PLA2G2A BCHE 76/4885ACHE 34/4885BACE1 74/4885
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, LPAR1, PLA2G1B BCHE 53/4885ACHE 31/4885BACE1 61/4885
US-20080103156-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 BCHE 2441/4885ACHE 3983/4885BACE1 280/4885

“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.