SCHEMBL6828066

SCHEMBL6828066

COc1cc(CO)c(Br)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
SUV39H2 Q9H5I1 9/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL24252762 0.85 HTR2A (0.47) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL30467763 0.85 HTR2A (0.47) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL130898 0.84 PDE4A (0.57) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL31316994 0.84 PDE4A (0.57) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL16068898 0.82 TAAR1 (0.52) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL30422333 0.82 TAAR1 (0.61) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL12486805 0.82 TAAR1 (0.61) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL17368626 0.82 HTR2A (0.52) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL19640185 0.80 KDM4E (0.41) NPC1
SCHEMBL1097206 0.80 CA1 (0.43) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935284-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS AbbVie Inc. (US) 2015-10-28 EP disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
WO-2014094357-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 WO disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
WO-2014094357-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 WO disclosed
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 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 (1 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-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 TAAR1 495/4885PDE4A 1285/4885PDE4B 1829/4885

“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.