SCHEMBL714196

SCHEMBL714196

Cc1c(OCC2COC3(CCOCC3)OC2)ccnc1CO

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.33
ACACB O00763 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
HTR4 Q13639 3/20 0.31
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL713489 0.84 APP (0.38) IRAK4ACACBIKBKETBK1
SCHEMBL711056 0.81 IRAK4 (0.32) IRAK4ACACB
SCHEMBL714260 0.78 IRAK4 (0.33) IRAK4ACACB
SCHEMBL716480 0.76 HTR1A (0.30) HTR1AADRA1DADRA1AADRA1B
SCHEMBL713495 0.75 RAB9A (0.58) HTR1AADRA1A
SCHEMBL714083 0.74 CYP2C9 (0.37) HTR1AADRA1A
SCHEMBL713299 0.74 KCNJ5 (0.38)
SCHEMBL714113 0.74 CYP2C9 (0.36) HTR1AADRA1A
SCHEMBL710025 0.73 HTR1A (0.31) HTR1AADRA1DADRA1AADRA1B
SCHEMBL712448 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 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-20070010542-A1 Benzimidazole compound HRH2, GIPR, HRH4 IRAK4 2424/4885ACACB 2421/4885HTR1A 451/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 IRAK4 1962/4885ACACB 2134/4885HTR1A 818/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 IRAK4 2424/4885ACACB 2421/4885HTR1A 451/4885

“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.