SCHEMBL854566

SCHEMBL854566

COC[CH]Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
AKT1 P31749 1/20 0.40
LTA4H P09960 1/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ARG2 P78540 1/20 0.38
TSHR P16473 2/20 0.37
CALM1 P0DP23 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
BTN3A1 O00481 1/20 0.35
ALDH1A1 P00352 2/20 0.34
IDO1 P14902 2/20 0.34
MGLL Q99685 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9791584 0.80 MAOB (0.65) MAOBAKT1LTA4HTP53CA1
SCHEMBL9791589 0.80 MAOB (0.65) MAOBAKT1LTA4HTP53CA1
SCHEMBL2455458 0.78 MAOB (0.44) MAOBTP53CA1CA2ARG2
SCHEMBL10902125 0.78 GPR52 (0.41) AKT1ALDH1A1IDO1TDP1
SCHEMBL74275 0.77 MAOB (0.67) MAOBTP53CA1CA2ARG2
SCHEMBL6290708 0.77 TSHR (0.54) MAOBCA1CA2TSHRALDH1A1
SCHEMBL4068997 0.76 AOC3 (0.48) MAOBLTA4HALDH1A1
SCHEMBL4069935 0.76 TSHR (0.58) MAOBCA1CA2TSHRIDO1
SCHEMBL4623866 0.74 LTA4H (0.67) LTA4HTP53TSHRALDH1A1IDO1
SCHEMBL28823556 0.74 HDAC8 (0.32) TP53TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11220482-B2 Aminopyridinemethanol compounds and their use UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2022-01-11 US claimed
US-20200255379-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE UNIV AMIENS PICARDIE JULES VERNE (FR) 2020-08-13 US claimed
CN-111527068-A Novel aminopyridine carbinol compounds and uses thereof 皮卡第儒勒-凡尔纳大学 2020-08-11 CN claimed
WO-2018053183-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR NOXELL CORPORATION (US) 2018-03-22 WO claimed
CN-102414168-B Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD 2014-05-21 CN claimed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US claimed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP claimed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US claimed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US claimed
CN-102414168-A Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD 2012-04-11 CN claimed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP claimed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO claimed
EP-1966210-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS Novartis AG (CH) 2008-09-10 EP claimed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP claimed
WO-2007071393-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO claimed
JP-2007503392-A 2007-02-22 JP claimed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP claimed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US claimed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO claimed
US-5976894-A FOR SCREENING BIOASSAYS TO DISCOVER BIOLOGICALLY ACTIVE MEMBERS PHARMACOPEIA, INC. (US) 1999-11-02 US claimed

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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 MAOB 1502/4885AKT1 1401/4885LTA4H 46/4885
US-11220482-B2 Aminopyridinemethanol compounds and their use QDPR, PNMT, CYP3A43 MAOB 636/4885AKT1 3608/4885LTA4H 1082/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 MAOB 3839/4885AKT1 2266/4885LTA4H 91/4885
US-20200255379-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE QDPR, PNMT, CYP3A43 MAOB 1238/4885AKT1 3416/4885LTA4H 1198/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 MAOB 3839/4885AKT1 2266/4885LTA4H 91/4885

“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.