SCHEMBL712810

SCHEMBL712810

CC1(C)OCC(OCc2ccccc2)CO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
OPRL1 P41146 2/20 0.48
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSK P43235 2/20 0.45
DPP4 P27487 1/20 0.44
SIGMAR1 Q99720 3/20 0.42
TMEM97 Q5BJF2 2/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NAAA Q02083 2/20 0.38
TSHR P16473 1/20 0.38
CTSV O60911 1/20 0.38
CTSS P25774 1/20 0.38
CTSC P53634 1/20 0.38

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
SCHEMBL11633683 0.85 OPRM1 (0.51) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL29344720 0.84 TDP1 (0.39) OPRM1OPRL1DPP4HRH3MAPT
SCHEMBL31207743 0.84 OPRM1 (0.35) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL713481 0.83 OPRM1 (0.46) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL11559164 0.83 OPRM1 (0.46) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL31207762 0.82 CA1 (0.40) OPRM1OPRL1TSHR
SCHEMBL11633034 0.82 CTSL (0.45) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL28421079 0.80 CTSL (0.51) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL22594119 0.78 OPRM1 (0.53) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL1862005 0.78 TAAR1 (0.47) CTSLCTSBCTSKSIGMAR1TMEM97

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 20 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
US-4077982-A HERBICIDES FMC CORPORATION (US) 1978-03-07 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 OPRM1 565/4885OPRL1 1287/4885CTSL 3939/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 OPRM1 690/4885OPRL1 1501/4885CTSL 3420/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 OPRM1 565/4885OPRL1 1287/4885CTSL 3939/4885

“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.