SCHEMBL4365463

SCHEMBL4365463

CC(C)N1CCN(C(C)[O])CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HRH3 Q9Y5N1 8/20 0.36
KCNH2 Q12809 3/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
DAO P14920 1/20 0.32
MAOB P27338 3/20 0.32
SIGMAR1 Q99720 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
SCHEMBL5241067 0.90
SCHEMBL6660188 0.83 CHRNA7 (0.46) CHRNA7KDM4EALDH1A1MAPTPKM
SCHEMBL13290580 0.83 CHRNA7 (0.46) CHRNA7KDM4EALDH1A1MAPTPKM
SCHEMBL13290568 0.83 CHRNA7 (0.46) CHRNA7KDM4EALDH1A1MAPTPKM
SCHEMBL681912 0.83 CHRNA7 (0.46) CHRNA7KDM4EALDH1A1MAPTPKM
SCHEMBL1106901 0.83
SCHEMBL6658443 0.79 CHRNA7 (0.43) CHRNA7KDM4EALDH1A1MAPTPKM
SCHEMBL378120 0.79 MC4R (0.41) KDM4EMAPTHRH3KCNH2CYP2D6
SCHEMBL194338 0.78
Hydrochloric Acid SCHEMBL6663708 0.76 CHRNA7 (0.42) CHRNA7KDM4EALDH1A1MAPTPKM

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 27 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-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
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US claimed
EP-1664023-A1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP 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
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 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
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO 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
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
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
US-20050049253-A1 Substituted quinolinone derivatives and methods of use AMGEN INC. 2005-03-03 US disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20050049253-A1 Substituted quinolinone derivatives and methods of use NQO1, NQO2, UGT1A1 CHRNA7 3922/4885KDM4E 2541/4885ALDH1A1 215/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS CHRNA7 4821/4885KDM4E 2631/4885ALDH1A1 255/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 CHRNA7 4772/4885KDM4E 3462/4885ALDH1A1 58/4885

“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.