SCHEMBL712767

SCHEMBL712767

CC[C@@H](C)CCc1ccc(-c2c(F)cc(B(O)O)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.38
LIPG Q9Y5X9 7/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
MGLL Q99685 1/20 0.35
KCNH2 Q12809 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
RARB P10826 2/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL222939 0.79 LPL (0.55) LPLLIPGCA1CA2TRPV1
SCHEMBL712768 0.79 MC4R (0.31) LIPG
SCHEMBL712766 0.79 MC4R (0.31) LIPG
SCHEMBL9926820 0.78 TAAR1 (0.32) LPLLIPGTAAR1
SCHEMBL9926824 0.73
SCHEMBL25824860 0.70 TAAR1 (0.45) KCNH2TMEM97SIGMAR1TAAR1
SCHEMBL1979236 0.70 CHRNB2 (0.38) TAAR1
SCHEMBL9474140 0.70 ESR1 (0.46) CA1CA2KCNH2TMEM97SIGMAR1
SCHEMBL9474134 0.70 ESR1 (0.46) CA1CA2KCNH2TMEM97SIGMAR1
SCHEMBL11527913 0.68 MMP12 (0.49) KCNH2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350100-B2 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2013-01-08 US disclosed
US-20120149943-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS MERCK GMBH (DE) 2012-06-14 US disclosed
US-8124817-B2 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-20110034738-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS PAULUTH DETLEF 2011-02-10 US disclosed
US-7842845-B2 Process for the preparation of ring compounds MERCK GMBH (DE) 2010-11-30 US disclosed
US-7786332-B2 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2010-08-31 US disclosed
US-20090318727-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS PAULUTH DETLEF 2009-12-24 US disclosed
US-20080319235-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS PAULUTH DETLEF 2008-12-25 US disclosed
US-7411100-B2 Process for the preparation of ring compounds MERCK GMBH (DE) 2008-08-12 US disclosed
US-7183447-B2 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2007-02-27 US disclosed
US-20060216754-A1 Process for the preparation of ring compounds PAULUTH DETLEF 2006-09-28 US disclosed
US-20040006235-A1 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2004-01-08 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 (5 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-20040006235-A1 Process for the preparation of ring compounds NBAS, HDHD5, DBF4 LPL 3496/4885LIPG 2737/4885CA1 1207/4885
US-20120149943-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 LPL 3503/4885LIPG 2746/4885CA1 1203/4885
US-20080319235-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 LPL 3496/4885LIPG 2737/4885CA1 1207/4885
US-20110034738-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 LPL 3496/4885LIPG 2737/4885CA1 1207/4885
US-20090318727-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 LPL 3496/4885LIPG 2737/4885CA1 1207/4885

“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.