SCHEMBL10330624

SCHEMBL10330624

CCOCCC1CNCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.47
SLC6A4 P31645 13/20 0.47
SLC6A3 Q01959 12/20 0.47
HTR2A P28223 4/20 0.47
ADRB2 P07550 2/20 0.47
HTR2B P41595 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA2C P18825 1/20 0.40
OPRK1 P41145 2/20 0.35
MLNR O43193 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6008849 0.89 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL596661 0.83 SMN1; SMN2 (0.42) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL597657 0.83 SMN1; SMN2 (0.42) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL597741 0.83 ADRA2C (0.41) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL599223 0.83 ADRA2C (0.41) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL3305237 0.81 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL30976497 0.81 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL8510441 0.81 ADRA2C (0.45) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL27985062 0.81 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL2892626 0.81 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR2AADRB2

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 12 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-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-20070032528-A1 Heterocyclic compounds RENHOWE PAUL A 2007-02-08 US disclosed
EP-0154519-B1 PHOTOACTIVATED POLYMERIZATION OF VINYL MONOMER IN THE PRESENCE OF POLYSILANES AND AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-08-03 EP disclosed
US-3943153-A BACTERICIDES MERCK & CO., INC. (US) 1976-03-09 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 (5 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-20070032528-A1 Heterocyclic compounds SLCO4C1, SLCO2B1, SLCO1B1 SLC6A2 324/4885SLC6A4 240/4885SLC6A3 765/4885
US-20120277434-A1 METHODS FOR SYNTHESIZING QUINOLINONE COMPOUNDS KCNJ2, KCNQ2, KCNJ11 SLC6A2 206/4885SLC6A4 638/4885SLC6A3 519/4885
US-20110046376-A1 METHODS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS. NISCH, DOHH, DNPH1 SLC6A2 1702/4885SLC6A4 2563/4885SLC6A3 3409/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 SLC6A2 189/4885SLC6A4 300/4885SLC6A3 313/4885
US-20090215793-A1 Methods for treating drug resistant cancer ABCC1, SLC11A2, SLC10A1 SLC6A2 113/4885SLC6A4 1018/4885SLC6A3 693/4885

“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.