SCHEMBL6589869

SCHEMBL6589869

NC1CCN(CC2CCCCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.67
ADRA2C P18825 1/20 0.67
ACHE P22303 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.50
OPRM1 P35372 6/20 0.44
OPRL1 P41146 6/20 0.44
OPRK1 P41145 4/20 0.44
OPRD1 P41143 2/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40

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
SCHEMBL1586529 1.00 CHRM5 (0.67) CHRM5ADRA2CACHESMN1; SMN2OPRM1
SCHEMBL11545422 1.00 CHRM5 (0.67) CHRM5ADRA2CACHESMN1; SMN2OPRM1
Hydrochloric Acid SCHEMBL1604164 0.98 CHRM5 (0.64) CHRM5ADRA2CACHESMN1; SMN2OPRM1
Hydrochloric Acid SCHEMBL6590070 0.98 CHRM5 (0.64) CHRM5ADRA2CACHESMN1; SMN2OPRM1
Hydrochloric Acid SCHEMBL2674614 0.98 CHRM5 (0.64) CHRM5ADRA2CACHESMN1; SMN2OPRM1
Hydrochloric Acid SCHEMBL8191714 0.98 CHRM5 (0.64) CHRM5ADRA2CACHESMN1; SMN2OPRM1
SCHEMBL11544296 0.98 CHRM5 (0.62) CHRM5ADRA2CACHESMN1; SMN2OPRM1
SCHEMBL11546506 0.93 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2OPRM1
SCHEMBL8100117 0.88 CHRM5 (0.48) CHRM5ADRA2CACHESMN1; SMN2
SCHEMBL2673448 0.88 CHRM5 (0.48) CHRM5ADRA2CACHESMN1; SMN2

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-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 US disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 US disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 US disclosed
US-20160052913-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-02-25 US disclosed
EP-2976077-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS The Scripps Research Institute (US) 2016-01-27 EP disclosed
WO-2014153529-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-25 WO disclosed
WO-2014153529-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-25 WO disclosed
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 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-20160052913-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS OPRL1, OPRK1, OPRM1 CHRM5 60/4885ADRA2C 52/4885ACHE 199/4885

“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.