SCHEMBL2535993

SCHEMBL2535993

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC[C@@H]2CN(C(c3ccccc3)c3ccccc3)C[C@@H]21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.36
OPRM1 P35372 6/20 0.36
OPRK1 P41145 6/20 0.36
OPRD1 P41143 4/20 0.36
BIRC2 Q13490 1/20 0.35
SLC6A9 P48067 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL2538171 1.00 OPRL1 (0.36) OPRL1OPRM1OPRK1OPRD1BIRC2
SCHEMBL2312141 0.79 SLC6A9 (0.52) OPRL1OPRM1SLC6A9CACNA1ACACNA2D1
SCHEMBL2380937 0.78 DRD2 (0.42) OPRL1OPRM1ALDH1A1MAPK1
SCHEMBL2540365 0.77 OPRM1 (0.35) OPRL1OPRM1USP2ALDH1A1MAPK1
SCHEMBL2308976 0.77 USP2 (0.57) CACNA1ACACNA2D1CACNB1CACNA1CUSP2
SCHEMBL2380587 0.75 PARP1 (0.40) OPRL1OPRM1CNR2
SCHEMBL2310886 0.73 USP2 (0.55) CACNA1ACACNA2D1CACNB1CACNA1CUSP2
SCHEMBL2311801 0.73 NPSR1 (0.44) OPRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL2313152 0.72 CACNA2D1 (0.59) OPRL1OPRM1OPRK1OPRD1CACNA1A
SCHEMBL2305958 0.72 CACNA2D1 (0.59) OPRL1OPRM1OPRK1OPRD1CACNA1A

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 OPRL1 152/4885OPRM1 431/4885OPRK1 354/4885

“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.