SCHEMBL7426671

SCHEMBL7426671

CC(C)(C)OCCCC1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
NAAA Q02083 1/20 0.39
HRH4 Q9H3N8 2/20 0.37
KMT2A Q03164 1/20 0.36
EED O75530 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
CYP1A2 P05177 1/20 0.33
NPY1R P25929 6/20 0.33
ACP1 P24666 4/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL7422517 0.90 HRH3 (0.39) HRH3NAAAHRH4KMT2AEED
SCHEMBL21667847 0.90 SLC6A1 (0.35) HRH3NPY1R
SCHEMBL21667842 0.90 SLC6A1 (0.35) HRH3NPY1R
SCHEMBL21941042 0.90 SLC6A1 (0.35) HRH3NPY1R
SCHEMBL7422519 0.90 HRH3 (0.39) HRH3NAAAHRH4KMT2AEED
SCHEMBL19700565 0.82 CYP1A2 (0.48) HRH3NAAACYP1A2
SCHEMBL13963779 0.82 CYP1A2 (0.43) HRH3NAAACYP1A2
SCHEMBL5234321 0.81 HRH3 (0.44) HRH3NAAAHRH4KMT2AEED
SCHEMBL7418924 0.80 GNAO1 (0.37) HRH3
SCHEMBL13282815 0.79 HRH3 (0.47) HRH3NAAAHRH4KMT2AEED

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 18 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-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-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 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
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 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 (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 1863/4885NAAA 3204/4885HRH4 1000/4885
US-20070032528-A1 Heterocyclic compounds SLCO4C1, SLCO2B1, SLCO1B1 HRH3 881/4885NAAA 4088/4885HRH4 209/4885
US-20120277434-A1 METHODS FOR SYNTHESIZING QUINOLINONE COMPOUNDS KCNJ2, KCNQ2, KCNJ11 HRH3 3024/4885NAAA 487/4885HRH4 2319/4885
US-20110046376-A1 METHODS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS. NISCH, DOHH, DNPH1 HRH3 147/4885NAAA 1027/4885HRH4 35/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 HRH3 1232/4885NAAA 507/4885HRH4 790/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 HRH3 1863/4885NAAA 3204/4885HRH4 1000/4885
US-20090215793-A1 Methods for treating drug resistant cancer ABCC1, SLC11A2, SLC10A1 HRH3 3970/4885NAAA 4012/4885HRH4 4533/4885

“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.