SCHEMBL1615947

SCHEMBL1615947

[CH2]c1ccc(OCc2ccccc2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.56
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
MRGPRX4 Q96LA9 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
BRD4 O60885 2/20 0.46
LIPE Q05469 1/20 0.45
FFAR1 O14842 2/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPN1 P18031 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42

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
SCHEMBL28116529 0.86 MAPT (0.53) FFAR4MAPTTDP1L3MBTL1MAPK1
SCHEMBL1505328 0.84 MAPT (0.48) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL2880445 0.82 MRGPRX4 (0.66) FFAR4MAPTTDP1L3MBTL1MAPK1
SCHEMBL6674358 0.81 SMPD1 (0.56) MAPK1MRGPRX4SMN1; SMN2HTTCYP2C9
SCHEMBL5052312 0.81 NPC1 (0.57) MAPTSMN1; SMN2HTTCYP2C9HTR1A
SCHEMBL25081934 0.81 MAPT (0.64) FFAR4MAPTTDP1L3MBTL1MAPK1
SCHEMBL10176688 0.81 FFAR4 (0.57) FFAR4MAPTTDP1L3MBTL1MAPK1
SCHEMBL8982918 0.81 RAB9A (0.57) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL1439758 0.81 PPARD (0.58) FFAR4MAPTTDP1L3MBTL1MAPK1
SCHEMBL1285894 0.81 FFAR4 (0.61) FFAR4MAPTTDP1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101006055-B 3-substituted-5-and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase ie AVENTIS PHARMA INC 2011-06-22 CN disclosed
EP-1794122-B1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2011-05-04 EP disclosed
US-7923466-B2 treating in a lengthening of circadian rhythm period with 6-aminomethyl-3-phenylsulfanyl-1H-indole-2-carboxylic acid amide; for treating central nervous system diseases and mood disorders, bipolar disorder and sleep disorders, with an enzyme inhibitor AVENTIS PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7629376-B2 3-substituted-5- and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2009-12-08 US disclosed
US-20090082340-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2009-03-26 US disclosed
US-20080027124-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2008-01-31 US disclosed
CN-101006055-A 3-substituted-5- and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase iepsilon AVENTIS PHARMA INC (US) 2007-07-25 CN disclosed
EP-1794122-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I Aventis Pharmaceuticals, Inc. (US) 2007-06-13 EP disclosed
WO-2006023467-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Iϵ AVENTIS PHARMACEUTICALS INC. (US) 2006-03-02 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 (2 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-20090082340-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK2A3, CSNK1G3, CSNK1G1 FFAR4 2202/4885MAPT 690/4885TDP1 1929/4885
US-20080027124-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK1G3, CSNK2A3, CSNK1E FFAR4 1782/4885MAPT 640/4885TDP1 2229/4885

“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.