SCHEMBL2546338

SCHEMBL2546338

O=C1CN(C(c2ccccc2)c2ccccc2)CCN1CCN1CCC(c2ccccc2)(c2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 2/20 0.42
OPRM1 P35372 9/20 0.40
OPRD1 P41143 8/20 0.40
OPRK1 P41145 8/20 0.40
OPRL1 P41146 8/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 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
SCHEMBL2359464 0.79 ADRA1B (0.39) ADRA1BOPRM1OPRD1OPRK1OPRL1
SCHEMBL2308976 0.75 USP2 (0.57) CYP2D6
SCHEMBL2312275 0.72 ADRA1B (0.42) ADRA1BOPRM1OPRD1OPRK1OPRL1
SCHEMBL2310052 0.72 ADRA1B (0.40) ADRA1BOPRM1OPRL1
SCHEMBL2313152 0.70 CACNA2D1 (0.59) OPRM1OPRD1OPRK1OPRL1
SCHEMBL2305958 0.70 CACNA2D1 (0.59) OPRM1OPRD1OPRK1OPRL1
SCHEMBL2312141 0.70 SLC6A9 (0.52) OPRM1OPRL1
SCHEMBL2357962 0.70 DPP8 (0.43) ADRA1BOPRM1OPRD1OPRK1OPRL1
SCHEMBL2312417 0.69 CACNA2D1 (0.57) OPRM1OPRD1OPRK1OPRL1
SCHEMBL2306889 0.69 CACNA2D1 (0.57) OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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 (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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D ADRA1B 43/4885OPRM1 431/4885OPRD1 309/4885

“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.