SCHEMBL3786501

SCHEMBL3786501

Clc1cccc(C2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
SLC6A3 Q01959 4/20 0.50
SLC6A2 P23975 3/20 0.50
KMO O15229 1/20 0.50
MDM2 Q00987 1/20 0.47
ADRA1A P35348 1/20 0.46
SLC6A4 P31645 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
SERPINE1 P05121 1/20 0.46
HSD11B1 P28845 1/20 0.44
CYP11B2 P19099 1/20 0.42

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
SCHEMBL3783699 0.98 KMO (0.53) HDAC4HDAC2HDAC8SLC6A3SLC6A2
SCHEMBL3790814 0.96 SLC6A3 (0.50) HDAC4HDAC2HDAC8SLC6A3SLC6A2
Ammonia Solution, Strong SCHEMBL7349459 0.94 SLC6A3 (0.49) HDAC4HDAC2HDAC8SLC6A3SLC6A2
SCHEMBL1067433 0.91 SLC6A3 (0.53) SLC6A3SLC6A2ADRA1ASLC6A4HTR2A
SCHEMBL29940424 0.91 SLC6A3 (0.53) SLC6A3SLC6A2ADRA1ASLC6A4HTR2A
SCHEMBL31547364 0.87 KMO (0.47) HDAC4HDAC2HDAC8SLC6A3SLC6A2
SCHEMBL778529 0.86 HDAC4 (0.63) HDAC4HDAC2HDAC8KMOHTR2C
SCHEMBL669730 0.84 KMO (0.64) HDAC4HDAC2HDAC8KMOHTR2C
SCHEMBL5667650 0.84 KMO (0.64) HDAC4HDAC2HDAC8KMOHTR2C
SCHEMBL1461329 0.83 KMO (0.42) HDAC4HDAC2HDAC8SLC6A3SLC6A2

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
EP-3148971-A1 DEUBIQUITINASE INHIBITORS Pharmakea, Inc. (US) 2017-04-05 EP disclosed
US-9469615-B2 Quinoxalines and AZA-quinoxalines as CRTH2 receptor modulators MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
WO-2015187427-A1 DEUBIQUITINASE INHIBITORS PHARMAKEA, INC. (US) 2015-12-10 WO disclosed
EP-2943495-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE Savira Pharmaceuticals GmbH (AT) 2015-11-18 EP disclosed
WO-2014108406-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-17 WO disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS HRH2, NPY2R, CNKSR1 HDAC4 2434/4885HDAC2 1329/4885HDAC8 2184/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 HDAC4 3220/4885HDAC2 549/4885HDAC8 1421/4885

“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.