SCHEMBL6497269

SCHEMBL6497269

CCC(CC)Sc1nc2nc(N3CCNCC3)c(Cl)cc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 14/20 0.66
▸ OPRM1 P35372 2/20 0.48
▸ OPRK1 P41145 2/20 0.48
▸ HRH4 Q9H3N8 4/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 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
Hydrochloric Acid SCHEMBL6494534 0.99 OPRL1 (0.65) OPRL1OPRM1OPRK1HRH4HTR2A
SCHEMBL15721887 0.85 OPRL1 (0.68) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6492952 0.84 OPRL1 (0.67) OPRL1OPRM1OPRK1
SCHEMBL20634043 0.80 OPRL1 (0.46) OPRL1OPRM1OPRK1
SCHEMBL6496529 0.79 OPRL1 (0.48) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6494405 0.79 OPRL1 (0.98) OPRL1OPRM1OPRK1
SCHEMBL6494958 0.77 OPRL1 (0.91) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6494400 0.76 OPRL1 (0.89) OPRL1OPRM1OPRK1
SCHEMBL6496720 0.76 OPRL1 (0.92) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6482733 0.75 OPRL1 (0.90) OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495366-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY Shionogi & Co., Ltd (JP) 2019-06-12 — — EP disclosed
EP-2733141-B1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO (JP) 2019-01-09 — — EP disclosed
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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