SCHEMBL13736885

SCHEMBL13736885

CC(C)(C)OC(=O)NCc1cccc(Cn2cc(Br)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ TAS2R8 Q9NYW2 1/20 0.52
▸ SCD O00767 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ROCK2 O75116 1/20 0.46
▸ GLS O94925 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ BRD4 O60885 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SCD5 Q86SK9 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL13738713 0.83 HPGD (0.46) LMNATSHRSCDHPGDALDH1A1
SCHEMBL13738315 0.83 LMNA (0.62) LMNATSHRHPGDKDM4EALDH1A1
SCHEMBL24973943 0.81 SCD (0.58) TAS2R8SCDHDAC3HDAC8NCOR2
SCHEMBL29820228 0.78 CTSB (0.56) LMNAHPGDGLSBRD4GAA
SCHEMBL507151 0.78 CTSB (0.56) LMNAHPGDGLSBRD4GAA
SCHEMBL851272 0.76 GLS (0.55) GLSBRD4NAMPT
SCHEMBL30192965 0.76 GLS (0.55) GLSBRD4NAMPT
SCHEMBL24613337 0.75 KMT2A (0.43) LMNAKDM4EALDH1A1HDAC3HDAC8
SCHEMBL19273688 0.75 KLKB1 (0.49) LMNASCDHDAC3HDAC8NCOR2
SCHEMBL21089701 0.75 TAS2R8 (0.44) TAS2R8SCDROCK2GLSBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — US disclosed
EP-2702042-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2014-03-05 — — EP disclosed
WO-2012149236-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-01 — — 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-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 LMNA 3285/4885TSHR 36/4885TAS2R8 815/4885

“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.

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