SCHEMBL6496850

SCHEMBL6496850

Clc1cc2nc(SCC3CCCCC3)[nH]c2cc1N1CCN(CC2CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.56
OPRM1 P35372 8/20 0.54
OPRK1 P41145 8/20 0.54
CYP1A2 P05177 2/20 0.47
CYP2E1 P05181 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C8 P10632 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2B6 P20813 2/20 0.47
CYP2C19 P33261 2/20 0.47
KCNH2 Q12809 1/20 0.41

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
SCHEMBL6496854 0.96 OPRL1 (0.59) OPRL1OPRM1OPRK1CYP1A2CYP2E1
SCHEMBL6484363 0.87 OPRL1 (0.74) OPRL1OPRM1OPRK1CYP1A2CYP2E1
SCHEMBL6484371 0.82 OPRL1 (0.77) OPRL1OPRM1OPRK1CYP1A2CYP2E1
Hydrochloric Acid SCHEMBL6494170 0.80 OPRL1 (0.71) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6494058 0.78 OPRL1 (0.59) OPRL1OPRM1OPRK1KCNH2
Hydrochloric Acid SCHEMBL6494175 0.76 OPRL1 (0.77) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6493445 0.76 OPRL1 (0.59) OPRL1OPRM1OPRK1CYP1A2CYP2E1
Hydrochloric Acid SCHEMBL6494067 0.74 OPRL1 (0.64) OPRL1OPRM1OPRK1KCNH2
SCHEMBL6499533 0.74 OPRL1 (0.92) OPRL1OPRM1OPRK1CYP1A2CYP2E1
SCHEMBL6483999 0.73 OPRL1 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.