SCHEMBL7418924

SCHEMBL7418924

CC(C)(C)OCCCC1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 3/20 0.37
HRH3 Q9Y5N1 2/20 0.37
ITGB3 P05106 8/20 0.35
ITGA2B P08514 8/20 0.35
AVPR2 P30518 2/20 0.34
AVPR1A P37288 2/20 0.34
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
SLC6A4 P31645 1/20 0.33
GNAI3 P08754 2/20 0.33
GNAI1 P63096 2/20 0.33
FAAH O00519 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Hydrochloric Acid SCHEMBL7418633 0.98 GNAO1 (0.39) GNAO1HRH3ITGB3ITGA2BAVPR2
SCHEMBL21667847 0.91 SLC6A1 (0.35) GNAO1HRH3ITGB3ITGA2BAVPR2
SCHEMBL21667842 0.91 SLC6A1 (0.35) GNAO1HRH3ITGB3ITGA2BAVPR2
SCHEMBL21941042 0.91 SLC6A1 (0.35) GNAO1HRH3ITGB3ITGA2BAVPR2
SCHEMBL7419450 0.88 GNAO1 (0.35) GNAO1HRH3ITGB3ITGA2BAVPR2
SCHEMBL13963782 0.85 CYP1A2 (0.36)
SCHEMBL13963779 0.81 CYP1A2 (0.43) HRH3
SCHEMBL19700565 0.81 CYP1A2 (0.48) HRH3
SCHEMBL7426671 0.80 HRH3 (0.41) HRH3
SCHEMBL1308005 0.79 GNAO1 (0.39) GNAO1HRH3ITGB3ITGA2BAVPR2

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 20 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-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-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-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-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
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 GNAO1 807/4885HRH3 1863/4885ITGB3 4020/4885
US-20070032528-A1 Heterocyclic compounds SLCO4C1, SLCO2B1, SLCO1B1 GNAO1 441/4885HRH3 881/4885ITGB3 2418/4885
US-20120277434-A1 METHODS FOR SYNTHESIZING QUINOLINONE COMPOUNDS KCNJ2, KCNQ2, KCNJ11 GNAO1 705/4885HRH3 3024/4885ITGB3 4760/4885
US-20110046376-A1 METHODS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS. NISCH, DOHH, DNPH1 GNAO1 472/4885HRH3 147/4885ITGB3 4823/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 GNAO1 2796/4885HRH3 1232/4885ITGB3 4254/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 GNAO1 807/4885HRH3 1863/4885ITGB3 4020/4885
US-20090215793-A1 Methods for treating drug resistant cancer ABCC1, SLC11A2, SLC10A1 GNAO1 1882/4885HRH3 3970/4885ITGB3 3256/4885

“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.