SCHEMBL204196

SCHEMBL204196

CCc1cc(O)cc(CC)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
PTPN1 P18031 2/20 0.39
PTPN11 Q06124 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
PTGS1 P23219 1/20 0.38
DRD3 P35462 1/20 0.38
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL23628384 0.88 PTPN1 (0.44) GABRA1GABRB2ESR1ESR2PTPN1
SCHEMBL69820 0.78 GABRA1 (0.55) GABRA1GABRB2ESR1ESR2PTPN1
SCHEMBL11296783 0.78 PTPN1 (0.42) GABRA1GABRB2ESR1ESR2PTPN1
SCHEMBL17873619 0.78 GABRA1 (0.55) GABRA1GABRB2ALOX15ALOX12POLB
SCHEMBL456782 0.76 GABRA1 (0.52) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL5439911 0.76 PTPN1 (0.41) GABRA1GABRB2ESR1ESR2PTPN1
SCHEMBL469841 0.76 GABRA1 (0.52) GABRA1GABRB2KMT2ACYP3A4ALOX15
SCHEMBL10870742 0.76 CA12 (0.41) GABRA1GABRB2ESR1ESR2PTPN1
SCHEMBL28485932 0.75 PTPN1 (0.59) GABRA1GABRB2ESR1ESR2PTPN1
SCHEMBL10382471 0.74 POLB (0.50) GABRA1GABRB2ESR1ESR2PTPN1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015024448-A1 BENZO PIPERIDINE RING AND BENZO MORPHOLINE RING COMPOUNDS, MANUFACTURING METHOD THEREFOR, AND MEDICAL APPLICATIONS THEREOF 上海润诺生物科技有限公司 (CN) 2015-02-26 WO disclosed
EP-2743268-A2 Fused cyclic compounds as GPR40 receptor modulators Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
US-20140080891-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
US-20140080891-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
US-20140080891-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
EP-2248812-B1 FUSED CYCLIC COMPOUNDS AS GPR40 RECEPTOR MODULATORS TAKEDA PHARMACEUTICAL (JP) 2013-12-25 EP disclosed
US-8598226-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-03 US disclosed
US-20130267589-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-10-10 US disclosed
US-20130267589-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-10-10 US disclosed
US-20130267589-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-10-10 US disclosed
US-20100197761-A1 Fused cyclic compounds YASUMA TSUNEO 2010-08-05 US disclosed
US-20100197761-A1 Fused cyclic compounds YASUMA TSUNEO 2010-08-05 US disclosed
US-7732626-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732626-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-20100004312-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
US-20100004312-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
CN-101616913-A Fused ring compound TAKEDA PHARMACEUTICAL 2009-12-30 CN disclosed
EP-2041123-A2 FUSED CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-01 EP disclosed
WO-2008001931-A2 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-03 WO disclosed
EP-0001721-A2 N-cyano- and N-alkynyl-2-(substituted phenoxy)butyramides and the use thereof as mildewicides STAUFFER CHEMICAL COMPANY (US) 1979-05-02 EP 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 (4 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-20140080891-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 GABRA1 534/4885GABRB2 616/4885ESR1 274/4885
US-20100004312-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 GABRA1 534/4885GABRB2 616/4885ESR1 274/4885
US-20130267589-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 GABRA1 534/4885GABRB2 616/4885ESR1 274/4885
US-20100197761-A1 Fused cyclic compounds GPR119, GLP1R, GPR65 GABRA1 534/4885GABRB2 616/4885ESR1 274/4885

“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.