SCHEMBL599505

SCHEMBL599505

CC(C)(C)[Si](OCCC1CC(=O)C1(Cl)Cl)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.49
CYP3A4 P08684 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10172041 1.00 SMYD2 (0.49) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL599980 0.78 SMYD2 (0.48) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL15348146 0.78 CYP3A4 (0.54) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5566651 0.74 SMYD2 (0.50) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5569919 0.74 SMYD2 (0.50) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL12192737 0.72 SMYD2 (0.48) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL19979001 0.72 SMYD2 (0.48) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL17686386 0.71 SMYD2 (0.46) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL706843 0.71 SMYD2 (0.40) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL25062462 0.71 SMYD2 (0.50) SMYD2CYP3A4HTTSMN1; SMN2

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
EP-3191459-A1 FUSED HETEROCYCLIC OR CARBOCYCLIC COMPOUNDS CARRYING A SUBSTITUTED CYCLOALIPHATIC RADICAL AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2017-07-19 EP disclosed
US-9617226-B2 Fused heterocyclic or carbocyclic compounds carrying a substituted cycloaliphatic radical and use thereof for treating vasopressin-related diseases AbbVie Deutschland GmbH & Co. KG (GB) 2017-04-11 US disclosed
US-20160068494-A1 FUSED HETEROCYCLIC OR CARBOCYCLIC COMPOUNDS CARRYING A SUBSTITUTED CYCLOALIPHATIC RADICAL AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-10 US disclosed
WO-2016034703-A1 FUSED HETEROCYCLIC OR CARBOCYCLIC COMPOUNDS CARRYING A SUBSTITUTED CYCLOALIPHATIC RADICAL AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-10 WO disclosed
US-8114994-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2012-02-14 US disclosed
EP-1828145-A4 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION UNIV EMORY (US) 2009-08-19 EP disclosed
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-11 US disclosed
US-7495006-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2009-02-24 US disclosed
EP-1828145-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2007-09-05 EP disclosed
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY 2006-10-05 US disclosed
WO-2006063281-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2006-06-15 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 (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-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation HAVCR2, PNP, PCNA SMYD2 2969/4885CYP3A4 728/4885HTT 3048/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD SMYD2 3065/4885CYP3A4 677/4885HTT 2905/4885
US-20160068494-A1 FUSED HETEROCYCLIC OR CARBOCYCLIC COMPOUNDS CARRYING A SUBSTITUTED CYCLOALIPHATIC RADICAL AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AVPR2, AVPR1B, AVPR1A SMYD2 4375/4885CYP3A4 1296/4885HTT 392/4885

“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.