SCHEMBL2802651

SCHEMBL2802651

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 2/20 0.53
▸ BCHE P06276 2/20 0.47
▸ ACHE P22303 2/20 0.47
▸ BACE1 P56817 2/20 0.47
▸ PHGDH O43175 1/20 0.43
▸ SLC6A5 Q9Y345 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ EPHX2 P34913 6/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL2804476 0.89 TEAD1 (0.56) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL3631495 0.89 TEAD1 (0.52) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL14216185 0.89 ACHE (0.45) TEAD1BCHEACHEBACE1DRD4
SCHEMBL2808223 0.88 BCHE (0.51) TEAD1BCHEACHEBACE1EPHX2
SCHEMBL2802531 0.88 TEAD1 (0.54) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL2802000 0.87 TEAD1 (0.53) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL3629314 0.85 TEAD1 (0.58) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL4861074 0.82 PTPN1 (0.37) SLC6A5DRD2DRD4CYP3A4MAPT
SCHEMBL4569598 0.78 TEAD1 (0.53) TEAD1BCHEACHEBACE1PHGDH
SCHEMBL3457225 0.78 TEAD1 (0.61) TEAD1BCHEACHEBACE1PHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-10-22 — — US disclosed
EP-2155225-B1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-07-08 — — EP disclosed
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY 2015-07-02 — — US disclosed
US-9029383-B2 Methods of treatment of skin ulcers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-05-12 — — 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
US-20100239565-A1 METHODS OF TREATMENT OF SKIN ULCERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-09-23 — — US disclosed
EP-2155225-A1 METHODS OF TREATMENT OF SKIN ULCERS The Trustees of the University of Pennsylvania (US) 2010-02-24 — — EP disclosed
EP-2083625-A2 BICYCLIC HETEROAROMATIC COMPOUNDS Glaxo Group Limited (GB) 2009-08-05 — — EP 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
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 (7 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-20080090851-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 TEAD1 657/4885BCHE 2441/4885ACHE 3983/4885
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS PLA2G12A, PLA2G3, PLA2G4A TEAD1 4492/4885BCHE 2845/4885ACHE 1384/4885
US-20080090852-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 TEAD1 639/4885BCHE 2544/4885ACHE 4187/4885
US-20130150379-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, PLA2G1B, PLA2G2A TEAD1 3794/4885BCHE 76/4885ACHE 34/4885
US-20100239565-A1 METHODS OF TREATMENT OF SKIN ULCERS PLA2G12A, PLA2G3, PLA2G4A TEAD1 4492/4885BCHE 2845/4885ACHE 1384/4885
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, LPAR1, PLA2G1B TEAD1 4185/4885BCHE 53/4885ACHE 31/4885
US-20080103156-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 TEAD1 657/4885BCHE 2441/4885ACHE 3983/4885

“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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