SCHEMBL3498760

SCHEMBL3498760

CC(=O)Nc1cc(C)n(C2CCCCO2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
PIK3CG P48736 1/20 0.40
ADORA2A P29274 9/20 0.39
ADORA1 P30542 9/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK7 P50613 1/20 0.38
TYRO3 Q06418 1/20 0.38
LRRK2 Q5S007 1/20 0.38
AURKB Q96GD4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL3501600 0.85 ALDH1A1 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL3903187 0.85 RXRA (0.38) CYP4F2CYP4A11PIK3CGADORA2AADORA1
SCHEMBL3501652 0.84 ALDH1A1 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL3501367 0.82 ADORA3 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL3501370 0.81 CYP4F2 (0.41) CYP4F2CYP4A11ADORA2ARXRARXRB
SCHEMBL29250241 0.80 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL3500980 0.77 ALDH1A1 (0.49) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL14726450 0.77 GAA (0.47) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29250235 0.77 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31543106 0.77 RXRA (0.47) CYP4F2CYP4A11RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108644-B1 N-(Methyl)-pyridin-2-amine derivatives for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2016-07-20 EP disclosed
US-8673940-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2014-03-18 US disclosed
US-20120309791-A1 NOVEL COMPOUND FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2012-12-06 US disclosed
US-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC IMMUNE SA (CH) 2010-07-22 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
EP-2121619-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC Immune S.A. (CH) 2009-11-25 EP disclosed
WO-2008061796-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2008-05-29 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 (3 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-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S PSEN2, APP, PSEN1 CYP4F2 2625/4885CYP4A11 2211/4885PIK3CG 3624/4885
US-20120309791-A1 NOVEL COMPOUND FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, PSEN2, PSEN1 CYP4F2 3132/4885CYP4A11 2646/4885PIK3CG 3885/4885
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 CYP4F2 1426/4885CYP4A11 936/4885PIK3CG 4720/4885

“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.