SCHEMBL3045606

SCHEMBL3045606

CCc1ccc(Cc2cn(C(=O)N(CC)CC)c3cccc(O)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.39
HTR2C P28335 8/20 0.39
HTR2B P41595 5/20 0.39
SLC5A2 P31639 2/20 0.36
P2RX4 Q99571 1/20 0.36
SLC5A1 P13866 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
PTPN5 P54829 1/20 0.32

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
SCHEMBL3049331 0.89 TBXA2R (0.39) HTR2AHTR2CHTR2BSLC5A2P2RX4
SCHEMBL3040972 0.81 LTB4R (0.41)
SCHEMBL3047763 0.73 SLC5A1 (0.45) HTR2AHTR2CHTR2BSLC5A2SLC5A1
SCHEMBL3410215 0.73 TSPO (0.42) LMNAPOLB
SCHEMBL3049904 0.72 BCHE (0.43) SLC5A2BCHE
SCHEMBL3048236 0.71 LTB4R (0.39) POLB
SCHEMBL3045532 0.63 HTR2C (0.55) HTR2AHTR2CHTR2BSLC5A2SLC5A1
SCHEMBL1539188 0.63 KEAP1 (0.70)
SCHEMBL31024314 0.63 HTR2A (0.62) HTR2AHTR2CHTR2B
SCHEMBL23120104 0.63 HTR2C (0.46) HTR2AHTR2CHTR2BPOLB

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 10 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-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 HTR2A 168/4885HTR2C 267/4885HTR2B 188/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP HTR2A 168/4885HTR2C 267/4885HTR2B 188/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP HTR2A 168/4885HTR2C 267/4885HTR2B 188/4885
US-20060293251-A1 Substituted indazole-O-glucosides GPR119, PYGL, GYS2 HTR2A 1089/4885HTR2C 786/4885HTR2B 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.