SCHEMBL1991080

SCHEMBL1991080

[CH]1OC=CC2=C1CCNC2

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.30
CD44 P16070 1/20 0.30
MAOB P27338 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
SCHEMBL18455678 0.62 PNMT (0.30) PNMTCD44MAOB
SCHEMBL14205193 0.60 PNMT (0.33) PNMTCD44MAOB
SCHEMBL8279313 0.60 PNMT (0.31) PNMTCD44MAOB
SCHEMBL23571534 0.59
SCHEMBL2500830 0.58 PNMT (0.30) PNMTCD44MAOB
SCHEMBL2507795 0.58 PNMT (0.31) PNMTCD44MAOB
SCHEMBL17734069 0.58 PNMT (0.32) PNMTCD44MAOB
SCHEMBL20827730 0.58
SCHEMBL7260527 0.56
SCHEMBL1592783 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193744-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-11-24 US disclosed
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-9115151-B2 Substituted 2,10-dihydro-9-oxa-1,2,4A-triazaphenanthren-3-ones and uses thereof ABBVIE INC. (US) 2015-08-25 US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
US-20140206663-A1 TRIAZINONE COMPOUNDS WUXI APPTECH (SHANGHAI) CO., LTD. (CN) 2014-07-24 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
WO-2014089904-A1 TRIAZINONE COMPOUNDS ABBVIE INC. (US) 2014-06-19 WO disclosed
US-20140162985-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-12 US disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-20120238549-A1 Nuclear Hormone Receptor Modulators ABBOTT LABORATORIES (US) 2012-09-20 US disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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 (7 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 PNMT 2232/4885CD44 2433/4885MAOB 3491/4885
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS CYP3A7, CYP11B2, CYP11B1 PNMT 2136/4885CD44 3451/4885MAOB 1423/4885
US-20140206663-A1 TRIAZINONE COMPOUNDS THPO, IL5, CYP11B2 PNMT 833/4885CD44 2727/4885MAOB 1560/4885
US-20130023526-A1 Isoxazolines as Therapeutic Agents CYP3A7, CYP11B2, CYP11B1 PNMT 2136/4885CD44 3451/4885MAOB 1423/4885
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO PNMT 266/4885CD44 3880/4885MAOB 1555/4885
US-20120238549-A1 Nuclear Hormone Receptor Modulators NR5A1, NR5A2, NR3C2 PNMT 2085/4885CD44 2660/4885MAOB 4346/4885
US-20140162985-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 PNMT 2232/4885CD44 2433/4885MAOB 3491/4885

“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.