SCHEMBL4372402

SCHEMBL4372402

CC(C)N1CCC(C[O])C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
KCNH2 Q12809 3/20 0.34
CHRM3 P20309 1/20 0.32
CYP2D6 P10635 1/20 0.31
CCR2 P41597 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL3532283 0.88 HRH3 (0.42) HRH3KCNH2CYP2D6HTR4
SCHEMBL1789882 0.87 KCNH2 (0.39) KCNH2CYP2D6CCR2
SCHEMBL2737413 0.82 HRH3 (0.38) HRH3KCNH2
SCHEMBL16565633 0.82 HRH3 (0.38) HRH3KCNH2
SCHEMBL2737395 0.82 HRH3 (0.38) HRH3KCNH2
SCHEMBL11997995 0.82 HRH3 (0.38) HRH3KCNH2
SCHEMBL2882434 0.80
SCHEMBL2737373 0.80 HRH3 (0.42) HRH3KCNH2
SCHEMBL20939895 0.80 HRH3 (0.37) HRH3KCNH2CHRM3
SCHEMBL16285865 0.80 HRH3 (0.37) HRH3KCNH2CHRM3

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 23 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-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP 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
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-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP disclosed
WO-2005021533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO disclosed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO 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 HRH3 1905/4885KCNH2 4163/4885CHRM3 3342/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS HRH3 1721/4885KCNH2 4027/4885CHRM3 3880/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 HRH3 1805/4885KCNH2 3857/4885CHRM3 3753/4885

“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.