SCHEMBL75994

SCHEMBL75994

CCN(COC)C[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1546247 0.81
SCHEMBL863172 0.78
SCHEMBL5892413 0.78
SCHEMBL275007 0.78 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL610247 0.78 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL2002515 0.78
SCHEMBL17263960 0.76 MEN1 (0.33)
SCHEMBL13858441 0.76 PIK3CD (0.31)
SCHEMBL31066753 0.70 ALDH1A1 (0.32) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL25862136 0.70 ALDH1A1 (0.32) ALDH1A1CYP2C9HPGDHSD17B10

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-8772313-B2 Benzenesulfonyl or sulfonamide compounds suitable for treating disorders that respond to the modulation of the serotonin 5-HT6 receptor ABBOTT LABORATORIES (US) 2014-07-08 US disclosed
US-8691865-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBVIE INC. (US) 2014-04-08 US disclosed
US-8470810-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-06-25 US disclosed
US-20120129883-A1 BENZENESULFONYL OR SULFONAMIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OFTHE SEROTONIN 5-HT6 RECEPTOR ABBOTT LABORATORIES (US) 2012-05-24 US disclosed
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
US-20110160176-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2011-06-30 US disclosed
US-7847117-B2 Process for preparing alkyl(methoxymethyl)trimethylsilanylmethylamines WACKER CHEMIE AG (DE) 2010-12-07 US disclosed
EP-2050754-B1 Method for manufacturing alkyl-methoxymethyl-trimethylsilanylmethyl amines WACKER CHEMIE AG (DE) 2010-09-15 EP disclosed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US disclosed
EP-2050754-A1 Method for manufacturing alkyl-methoxymethyl-trimethylsilanylmethyl amines Wacker Chemie AG (DE) 2009-04-22 EP disclosed
US-20090036700-A1 Process For Preparing Alkyl(Methoxymethyl)Trimethylsilanylmethylamines WACKER CHEMIE AG (DE) 2009-02-05 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-20120129883-A1 BENZENESULFONYL OR SULFONAMIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OFTHE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR2A, HTR2B ALDH1A1 997/4885CYP2C9 297/4885HPGD 1134/4885
US-20090036700-A1 Process For Preparing Alkyl(Methoxymethyl)Trimethylsilanylmethylamines PNMT, TET2, HNMT ALDH1A1 3385/4885CYP2C9 2343/4885HPGD 4428/4885
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S ALDH1A1 556/4885CYP2C9 1203/4885HPGD 1353/4885
US-20110160176-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR DRD3, CHRNA3, CHRM3 ALDH1A1 1372/4885CYP2C9 1410/4885HPGD 1794/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S ALDH1A1 556/4885CYP2C9 1203/4885HPGD 1353/4885

“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.