SCHEMBL105162

SCHEMBL105162

CC(C)N1CCCC1CO

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
CHRM3 P20309 1/20 0.40
SPHK1 Q9NYA1 6/20 0.33
SPHK2 Q9NRA0 5/20 0.33
CDK1 P06493 3/20 0.33
CCNB1 P14635 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31

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
SCHEMBL8274569 1.00 L3MBTL1 (0.45) L3MBTL1POLBCHRM3SPHK1SPHK2
SCHEMBL438746 1.00 L3MBTL1 (0.45) L3MBTL1POLBCHRM3SPHK1SPHK2
SCHEMBL16285866 0.94 POLB (0.39) L3MBTL1POLBCHRM3KMT2APKM
SCHEMBL23746672 0.94 POLB (0.39) L3MBTL1POLBCHRM3KMT2APKM
SCHEMBL4386209 0.94 POLB (0.39) L3MBTL1POLBCHRM3KMT2APKM
SCHEMBL17818890 0.86
SCHEMBL9683032 0.86
SCHEMBL20088236 0.86
SCHEMBL22063551 0.83 L3MBTL1 (0.42) L3MBTL1POLBCHRM3SPHK1SPHK2
SCHEMBL24276550 0.83 L3MBTL1 (0.42) L3MBTL1POLBCHRM3SPHK1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP claimed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US claimed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US claimed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP claimed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US claimed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP claimed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US claimed
US-7101868-B2 Substituted arylamine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US claimed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US claimed
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP claimed
WO-2005021533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO claimed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 US claimed
US-20050049253-A1 Substituted quinolinone derivatives and methods of use AMGEN INC. 2005-03-03 US claimed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US claimed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US claimed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO claimed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO claimed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US claimed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US claimed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 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 (8 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC L3MBTL1 1694/4885POLB 687/4885CHRM3 1347/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR L3MBTL1 1533/4885POLB 1312/4885CHRM3 2526/4885
US-20050049253-A1 Substituted quinolinone derivatives and methods of use NQO1, NQO2, UGT1A1 L3MBTL1 3445/4885POLB 412/4885CHRM3 3342/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR L3MBTL1 1533/4885POLB 1312/4885CHRM3 2526/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS L3MBTL1 2836/4885POLB 1081/4885CHRM3 3880/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 L3MBTL1 2529/4885POLB 591/4885CHRM3 1910/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 L3MBTL1 1698/4885POLB 887/4885CHRM3 3753/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 L3MBTL1 2679/4885POLB 1694/4885CHRM3 1498/4885

“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.