SCHEMBL13737102

SCHEMBL13737102

CC(=O)OCCOc1cccc(Cn2cc(Br)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ LMNA P02545 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPK1 P28482 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HRH2 P25021 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ KLKB1 P03952 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ USP2 O75604 1/20 0.39

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
SCHEMBL15523970 0.83 ALDH1A1 (0.47) HPGDLMNATSHRKMT2AMEN1
SCHEMBL13738711 0.81 HPGD (0.47) HPGDLMNATSHRKMT2AMEN1
SCHEMBL13736942 0.78 KMT2A (0.71) HPGDLMNATSHRKMT2AMEN1
SCHEMBL13738713 0.78 HPGD (0.46) HPGDLMNATSHRALDH1A1HRH2
SCHEMBL4769161 0.75 KDM4E (0.58) LMNAKMT2AMEN1MAPK1HSD17B10
SCHEMBL23815028 0.74 KMT2A (0.44) HPGDLMNATSHRKMT2AMEN1
SCHEMBL13463055 0.74 L3MBTL1 (0.62) TSHRKMT2AMAPK1ALDH1A1KDM4E
SCHEMBL10030189 0.73 MTNR1A (0.53) LMNATSHRKMT2AMAPK1ALDH1A1
SCHEMBL2715134 0.73 HPGD (0.64) HPGDLMNATSHRKMT2AMEN1
SCHEMBL27167896 0.72 ALDH1A1 (0.41) HPGDLMNATSHRKMT2AMAPK1

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
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-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
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 HPGD 2527/4885LMNA 3285/4885TSHR 36/4885

“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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