SCHEMBL711898

SCHEMBL711898

c1ccc(COCC2OCC3(CC3)CO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.42
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TACR1 P25103 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
IDO1 P14902 1/20 0.37
DRD1 P21728 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
AGXT P21549 1/20 0.36
HRH4 Q9H3N8 3/20 0.36
HRH3 Q9Y5N1 3/20 0.36

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
SCHEMBL714288 0.94 TSHR (0.41) TSHRTAAR1LMNABCHEACHE
SCHEMBL713746 0.84 TSHR (0.44) TSHRTAAR1LMNABCHEACHE
SCHEMBL712203 0.84 TSHR (0.44) TSHRTAAR1LMNABCHEACHE
SCHEMBL713523 0.81 TSHR (0.52) TSHRTAAR1LMNABCHEACHE
SCHEMBL712254 0.78 TSHR (0.48) TSHRTAAR1LMNABCHEACHE
SCHEMBL29579821 0.76 LMNA (0.48) TSHRTAAR1LMNABCHEACHE
SCHEMBL23819499 0.75 TAAR1 (0.47) TSHRTAAR1LMNABCHEACHE
SCHEMBL11633230 0.74 TAAR1 (0.46) TSHRTAAR1LMNABCHEACHE
SCHEMBL306297 0.72 LMNA (0.57) TSHRTAAR1LMNADRD1MEN1
SCHEMBL715660 0.72 LMNA (0.57) TSHRTAAR1LMNADRD1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024028363-A1 HETEROARYL CARBOXAMIDE AND RELATED GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2024-02-08 WO 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
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
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
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-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 TSHR 603/4885TAAR1 930/4885LMNA 3526/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 TSHR 791/4885TAAR1 1079/4885LMNA 3603/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 TSHR 603/4885TAAR1 930/4885LMNA 3526/4885

“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.