SCHEMBL6496529

SCHEMBL6496529

CCC(CC)Sc1nc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 14/20 0.48
▸ OPRM1 P35372 4/20 0.47
▸ OPRK1 P41145 4/20 0.47
▸ KCNH2 Q12809 2/20 0.40
▸ KIT P10721 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ CXCR2 P25025 1/20 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
SCHEMBL20634043 0.83 OPRL1 (0.46) OPRL1OPRM1OPRK1KCNH2
SCHEMBL6714931 0.82 PRMT5 (0.56) OPRL1OPRM1OPRK1KCNH2PRMT5
SCHEMBL15721887 0.80 OPRL1 (0.68) OPRL1OPRM1OPRK1KCNH2
SCHEMBL6497269 0.79 OPRL1 (0.66) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6492952 0.79 OPRL1 (0.67) OPRL1OPRM1OPRK1KCNH2
Hydrochloric Acid SCHEMBL6494534 0.78 OPRL1 (0.65) OPRL1OPRM1OPRK1
SCHEMBL2366517 0.72 POLB (0.48) KITMEN1KMT2ATLR9
SCHEMBL6481958 0.71 OPRL1 (0.61) OPRL1OPRM1OPRK1KCNH2
SCHEMBL6483978 0.71 OPRL1 (0.60) OPRL1OPRM1OPRK1KCNH2
SCHEMBL6486857 0.71 OPRL1 (0.52) OPRL1OPRM1OPRK1KCNH2

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-20170107219-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-04-20 — — US disclosed
US-20170107219-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-04-20 — — US disclosed
US-9567330-B2 Azabenzimidazole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2017-02-14 — — US disclosed
US-9567330-B2 Azabenzimidazole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2017-02-14 — — US disclosed
US-20140194420-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-07-10 — — US disclosed
US-20140194420-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-07-10 — — US disclosed
EP-2733141-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY Shionogi & Co., Ltd. (JP) 2014-05-21 — — EP disclosed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 — — US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 — — US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 — — EP 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-20170107219-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAB1, PRKAB2, PRKAG1 OPRL1 2915/4885OPRM1 3355/4885OPRK1 1950/4885
US-20140194420-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAB1, PRKAB2, PRKAG1 OPRL1 2915/4885OPRM1 3355/4885OPRK1 1950/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR OPRL1 2/4885OPRM1 11/4885OPRK1 9/4885

“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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