SCHEMBL2311040

SCHEMBL2311040

CCOC(=O)CN1CCC(c2ccccc2)(c2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.47
OPRD1 P41143 3/20 0.47
OPRK1 P41145 3/20 0.47
SLC22A1 O15245 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
ADRA1B P35368 1/20 0.47
ALDH1A1 P00352 1/20 0.46
OPRL1 P41146 1/20 0.45
ALOX15 P16050 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MITF O75030 2/20 0.43

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
SCHEMBL2311448 0.92 ALDH1A1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL2379311 0.87 OPRM1 (0.48) OPRM1ALDH1A1
SCHEMBL2310277 0.87 OPRM1 (0.48) OPRM1ADRA1BALDH1A1ALOX15MEN1
SCHEMBL2310569 0.82 CYP2D6 (0.46) ADRA1BALDH1A1KMT2A
SCHEMBL2312714 0.80 OPRM1 (0.46) OPRM1ALDH1A1OPRL1ALOX15MEN1
SCHEMBL2309991 0.79 ADRA1B (0.41) OPRM1ADRA1BOPRL1MEN1KMT2A
SCHEMBL18408950 0.78 ADRA1B (0.46) OPRM1OPRD1OPRK1KCNH2ADRA1B
SCHEMBL2379745 0.74 NPC1L1 (0.46) OPRM1OPRL1
SCHEMBL2310823 0.74 OPRM1 (0.49) OPRM1OPRD1OPRL1MEN1KMT2A
SCHEMBL2543025 0.74 HPGD (0.53) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815869-B2 Lactam acetamides as calcium channel blockers ABBVIE INC. (US) 2014-08-26 US disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
WO-2011115813-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 WO disclosed
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO 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 (2 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 OPRM1 431/4885OPRD1 309/4885OPRK1 354/4885
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1D, CACNA1S OPRM1 593/4885OPRD1 334/4885OPRK1 775/4885

“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.