SCHEMBL10330201

SCHEMBL10330201

CC(C)(C)OCCCC1CCCCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
CYP2D6 P10635 4/20 0.36
CYP1A2 P05177 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MLNR O43193 1/20 0.36
ABCB11 O95342 1/20 0.36
EGFR P00533 1/20 0.36
FYN P06241 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL19709191 0.95 CHRNB2 (0.35) HRH3FDPS
SCHEMBL21667846 0.95 CHRNB2 (0.35) HRH3FDPS
SCHEMBL21667841 0.95 CHRNB2 (0.35) HRH3FDPS
SCHEMBL7421284 0.89 CYP2D6 (0.38) HRH3CYP2D6CYP1A2KMT2AMEN1
SCHEMBL12403589 0.84 CHRNB2 (0.36) HRH3CYP2D6CYP1A2KMT2AMEN1
SCHEMBL21941434 0.81 CHRNB4 (0.35) HRH3
SCHEMBL12213043 0.80 HRH3 (0.43) HRH3CYP2D6CYP1A2KMT2AMEN1
SCHEMBL10330699 0.79 HRH3 (0.45) HRH3CYP2D6CYP1A2KMT2AMEN1
SCHEMBL7420348 0.78 LTA4H (0.43) CYP2D6CYP1A2KMT2AMEN1ALDH1A1
SCHEMBL7420352 0.78 LTA4H (0.43) CYP2D6CYP1A2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277434-A1 METHODS FOR SYNTHESIZING QUINOLINONE COMPOUNDS CAI SHAOPEI (US) 2012-11-01 US disclosed
US-8299081-B2 Methods for treating drug resistant cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8222413-B2 Methods for synthesizing heterocyclic compounds NOVARTIS AG (US) 2012-07-17 US disclosed
US-20110046376-A1 METHODS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS. NOVARTIS AG (CH) 2011-02-24 US disclosed
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-20100184754-A1 QUINOLINONE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-07-22 US disclosed
US-20100184754-A1 QUINOLINONE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-07-22 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
US-7598268-B2 Quinolinone derivatives NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-10-06 US disclosed
US-20090215793-A1 Methods for treating drug resistant cancer NOVARTIS AG 2009-08-27 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-7368459-B2 Heterocyclic compounds CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-20080070906-A1 QUINOLINONE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-03-20 US disclosed
US-7335774-B2 Quinolinone derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-02-26 US disclosed
US-20070032528-A1 Heterocyclic compounds RENHOWE PAUL A 2007-02-08 US 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 (7 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-20080070906-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 HRH3 1863/4885CYP2D6 34/4885CYP1A2 40/4885
US-20070032528-A1 Heterocyclic compounds SLCO4C1, SLCO2B1, SLCO1B1 HRH3 881/4885CYP2D6 76/4885CYP1A2 110/4885
US-20120277434-A1 METHODS FOR SYNTHESIZING QUINOLINONE COMPOUNDS KCNJ2, KCNQ2, KCNJ11 HRH3 3024/4885CYP2D6 820/4885CYP1A2 534/4885
US-20110046376-A1 METHODS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS. NISCH, DOHH, DNPH1 HRH3 147/4885CYP2D6 103/4885CYP1A2 36/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 HRH3 1232/4885CYP2D6 199/4885CYP1A2 207/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 HRH3 1863/4885CYP2D6 34/4885CYP1A2 40/4885
US-20090215793-A1 Methods for treating drug resistant cancer ABCC1, SLC11A2, SLC10A1 HRH3 3970/4885CYP2D6 1994/4885CYP1A2 2308/4885

“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.