SCHEMBL3410762

SCHEMBL3410762

OC[C@H]1OC(O)[C@H](OOc2cccc3nnn(CCc4ccc5c(c4)CCO5)c23)[C@@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 15/20 0.56
▸ SLC5A1 P13866 8/20 0.56
▸ CHRM5 P08912 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ KCNE1 P15382 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34

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
SCHEMBL3412682 1.00 SLC5A2 (0.56) SLC5A2SLC5A1CHRM5CHRM1ADRB2
SCHEMBL3410749 0.90 SLC5A2 (0.51) SLC5A2SLC5A1CHRM5CHRM1ADRB2
SCHEMBL3409070 0.90 SLC5A2 (0.51) SLC5A2SLC5A1CHRM5CHRM1ADRB2
SCHEMBL3428662 0.86 SLC5A2 (0.75) SLC5A2SLC5A1CHRM5CHRM1ADRB2
SCHEMBL13122853 0.86 SLC5A2 (0.75) SLC5A2SLC5A1
SCHEMBL3410768 0.82 SLC5A2 (0.54) SLC5A2SLC5A1CHRM5CHRM1ADRB2
SCHEMBL3412686 0.82 SLC5A2 (0.54) SLC5A2SLC5A1CHRM5CHRM1ADRB2
SCHEMBL4416370 0.82 SLC5A2 (0.54) SLC5A2SLC5A1CHRM5CHRM1ADRB2
SCHEMBL3410769 0.82 SLC5A2 (0.54) SLC5A2SLC5A1CHRM5CHRM1ADRB2
SCHEMBL3413372 0.82 SLC5A2 (0.73) SLC5A2SLC5A1

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-20050032712-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 — — US claimed
US-7816330-B2 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 — — US disclosed
US-20100004188-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES URBANSKI MAUD 2010-01-07 — — US disclosed
US-20090105165-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES URBANSKI MAUD 2009-04-23 — — US disclosed
US-7094764-B2 Substituted benzimidazole-, Benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-22 — — US disclosed
US-20050032712-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 — — US 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 (3 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-20090105165-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES GANAB, GCG, B3GAT3 SLC5A2 16/4885SLC5A1 18/4885CHRM5 4027/4885
US-20050032712-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides GANAB, GCG, GANC SLC5A2 18/4885SLC5A1 19/4885CHRM5 3914/4885
US-20100004188-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES GANAB, GCG, GANC SLC5A2 18/4885SLC5A1 19/4885CHRM5 3914/4885

“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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