SCHEMBL6659778

SCHEMBL6659778

CC(C)(C)NC1CCCCC1NC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 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
SCHEMBL19367684 1.00 SIGMAR1 (0.30) SIGMAR1
SCHEMBL22210750 0.97 SIGMAR1 (0.33) SIGMAR1
Hydrochloric Acid SCHEMBL6663231 0.94
SCHEMBL24316208 0.89 SIGMAR1 (0.30) SIGMAR1
SCHEMBL20063377 0.89 SIGMAR1 (0.30) SIGMAR1
SCHEMBL6665913 0.87
SCHEMBL10267303 0.84 EPHX1 (0.39)
SCHEMBL20063350 0.83 ALDH1A1 (0.40)
SCHEMBL18774758 0.82 CA1 (0.39)
SCHEMBL20976450 0.82 CA1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593139-B2 Compositions, methods, and kits comprising platinum compounds associated with a ligand comprising a targeting moiety MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-03-14 US disclosed
US-20140343139-A1 COMPOSITIONS, METHODS, AND KITS COMPRISING PLATINUM COMPOUNDS ASSOCIATED WITH A LIGAND COMPRISING A TARGETING MOIETY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-11-20 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-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
EP-1160267-B1 CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE JAPAN SCIENCE & TECH CORP (JP) 2004-08-04 EP disclosed
US-6689919-B1 SOLUBLE POLY(OXYFLUOROPHENYLENE) COMPOUNDS WITH EXCELLENT HEAT RESISTANCE, MEMBRANE-FORMABILITY AND CHEMICAL STABILITY JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-02-10 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 (2 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-20140343139-A1 COMPOSITIONS, METHODS, AND KITS COMPRISING PLATINUM COMPOUNDS ASSOCIATED WITH A LIGAND COMPRISING A TARGETING MOIETY DTYMK, PBK, PAICS SIGMAR1 4465/4885
US-20070149598-A1 M3 muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 SIGMAR1 268/4885

“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.