SCHEMBL952152

SCHEMBL952152

CCC(C)(C)OC(N(C)C)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL12888049 0.77 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL18500728 0.73 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL62598 0.71
SCHEMBL9095605 0.70
SCHEMBL22641704 0.69 TSHR (0.45) ALDH1A1TSHRTDP1
SCHEMBL3146943 0.69
SCHEMBL5932196 0.67
SCHEMBL13174761 0.67
SCHEMBL15135119 0.67 TSHR (0.43) ALDH1A1TSHRTDP1
SCHEMBL6178791 0.67 TSHR (0.43) ALDH1A1TSHRTDP1

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-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-12-21 US disclosed
EP-2245009-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 5-BIPHENYL-4-YL-2-METHYLPENTANOIC ACID DERIVATIVES NOVARTIS AG (CH) 2016-08-10 EP disclosed
US-9403766-B2 Intermediates for producing NEP inhibitors or prodrugs thereof NOVARTIS AG (CH) 2016-08-02 US disclosed
US-20160060217-A1 Processes HOOK DAVID (CH) 2016-03-03 US disclosed
US-9227934-B2 Processes for producing NEP inhibitors or prodrugs thereof NOVARTIS AG (CH) 2016-01-05 US disclosed
US-20150246881-A1 Processes NOVARTIS AG (CH) 2015-09-03 US disclosed
US-9061973-B2 Processes for producing NEP inhibitors or prodrugs thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2015-06-23 US disclosed
US-9061973-B2 Processes for producing NEP inhibitors or prodrugs thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2015-06-23 US disclosed
US-20140243546-A1 Processes NOVARTIS AG (CH) 2014-08-28 US disclosed
US-20140243546-A1 Processes NOVARTIS AG (CH) 2014-08-28 US disclosed
US-8716481-B2 Process for the preparation of 6-substituted-1-(2H)-isoquinolinones SANOFI (FR) 2014-05-06 US disclosed
US-8580974-B2 Processes NOVARTIS AG (CH) 2013-11-12 US disclosed
US-20110046397-A1 NEW PROCESSES NOVARTIS PHARMACEUTICALS CORPORATION 2011-02-24 US disclosed
US-20110021779-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2245009-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 5-BIPHENYL-4-YL-2-METHYLPENTANOIC ACID DERIVATIVES Novartis AG (CH) 2010-11-03 EP disclosed
EP-2240441-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES Sanofi-Aventis (FR) 2010-10-20 EP disclosed
WO-2009090251-A2 NEW PROCESSES NOVARTIS AG (CH) 2009-07-23 WO disclosed
WO-2009080335-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-07-02 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 (6 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-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 ALDH1A1 4117/4885TSHR 3200/4885TDP1 284/4885
US-20110021779-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES CYP1B1, CYP1A1, NQO1 ALDH1A1 90/4885TSHR 4350/4885TDP1 1506/4885
US-20160060217-A1 Processes MME, NAT1, AGTR1 ALDH1A1 134/4885TSHR 3125/4885TDP1 1039/4885
US-20110046397-A1 NEW PROCESSES MME, REN, AGTR1 ALDH1A1 197/4885TSHR 3271/4885TDP1 1615/4885
US-20140243546-A1 Processes MME, NAT1, AGTR1 ALDH1A1 134/4885TSHR 3125/4885TDP1 1039/4885
US-20150246881-A1 Processes MME, NAT1, AGTR1 ALDH1A1 134/4885TSHR 3125/4885TDP1 1039/4885

“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.