SCHEMBL10101623

SCHEMBL10101623

CC(C)(CNC(C)(C)C)CNC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
ADRB2 P07550 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
SCHEMBL16015529 0.87 NPSR1 (0.30) NPSR1
SCHEMBL1104143 0.83 TSHR (0.33) NPSR1TSHR
SCHEMBL10107490 0.83 TP53 (0.35) TSHRKMT2A
SCHEMBL24192877 0.81 NPSR1 (0.30) NPSR1
SCHEMBL10245088 0.81 NPSR1 (0.34) NPSR1
SCHEMBL13761903 0.81 CYP2D6 (0.50) NPSR1
SCHEMBL13884266 0.81
SCHEMBL13537532 0.78
SCHEMBL823098 0.77 NPSR1 (0.34) NPSR1TSHR
SCHEMBL4346571 0.77 NPSR1 (0.34) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 US disclosed
US-7384946-B2 N-{4-[2-([11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-ethyl]-cyclohexyl}-2-[2-({4-[2-([11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-ethyl]-cyclohexylcarbamoyl}}-methyl)-phenyl]]-acetamide; respiratory system disorders: COPD, bronchitis, asthma, pulmonary fibrosis, emphysema, rhinitis GLAXO GROUP LIMITED (GB) 2008-06-10 US disclosed
US-7384946-B2 N-{4-[2-([11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-ethyl]-cyclohexyl}-2-[2-({4-[2-([11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-ethyl]-cyclohexylcarbamoyl}}-methyl)-phenyl]]-acetamide; respiratory system disorders: COPD, bronchitis, asthma, pulmonary fibrosis, emphysema, rhinitis GLAXO GROUP LIMITED (GB) 2008-06-10 US disclosed
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 US disclosed
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 US disclosed
US-20070149598-A1 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-06-28 US disclosed
US-20070149598-A1 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-06-28 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 (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-20070196859-A1 Novel antibacterial agents ENGASE, PEPD, PGLS NPSR1 3934/4885LMNA 3455/4885CYP3A4 1815/4885
US-20070149598-A1 M3 muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 NPSR1 290/4885LMNA 3589/4885CYP3A4 982/4885
US-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 NPSR1 4718/4885LMNA 3433/4885CYP3A4 523/4885

“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.