SCHEMBL3045532

SCHEMBL3045532

COc1ccc(Cc2cn(C)c3cccc(O)c23)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.55
HTR2A P28223 6/20 0.55
HTR2B P41595 6/20 0.55
ALOX5 P09917 2/20 0.49
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
LTA4H P09960 1/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
EGFR P00533 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
POLB P06746 1/20 0.37
ADRB2 P07550 1/20 0.37

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
SCHEMBL14278464 0.84 SLC5A2 (0.57) SLC5A1SLC5A2LTA4H
SCHEMBL3036049 0.78 ABCB1 (0.52) SLC5A2LTA4HMAPTEGFRPDGFRB
SCHEMBL3091118 0.77 GPR84 (0.65) HTR2ALTA4HADRB2
SCHEMBL27542807 0.73 HTR2C (0.67) HTR2CHTR2AHTR2BMAPT
SCHEMBL14278474 0.73 KMT2A (0.46) SLC5A1SLC5A2
SCHEMBL254705 0.73 KEAP1 (0.63) ALOX5SLC5A1SLC5A2LTA4H
SCHEMBL26965705 0.71 HTR2A (0.65) HTR2CHTR2AHTR2B
SCHEMBL14278469 0.71 SLC5A2 (0.57) SLC5A1SLC5A2
SCHEMBL2931184 0.71 HTR2C (0.63) HTR2CHTR2AHTR2BMAPT
SCHEMBL26965630 0.71 HTR2C (0.68) HTR2CHTR2AHTR2BMAPTADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820630-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-26 US disclosed
US-20100009916-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS BOKVIST BENGT KRISTER 2010-01-14 US disclosed
US-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2010-01-14 US disclosed
EP-1680131-A4 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2009-04-23 US disclosed
US-7511022-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 US disclosed
US-20060293251-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-28 US disclosed
US-7129220-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V (BE) 2006-10-31 US disclosed
EP-1680131-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
US-20050037981-A1 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 US disclosed
WO-2005012243-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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 (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-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP HTR2C 267/4885HTR2A 168/4885HTR2B 188/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP HTR2C 267/4885HTR2A 168/4885HTR2B 188/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP HTR2C 267/4885HTR2A 168/4885HTR2B 188/4885
US-20060293251-A1 Substituted indazole-O-glucosides GPR119, PYGL, GYS2 HTR2C 786/4885HTR2A 1089/4885HTR2B 890/4885

“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.