SCHEMBL2379745

SCHEMBL2379745

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 2/20 0.46
HTT P42858 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
OPRM1 P35372 4/20 0.43
OPRL1 P41146 3/20 0.43
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2381415 0.92 NPC1L1 (0.45) NPC1L1HTTSIGMAR1OPRM1OPRL1
SCHEMBL2380625 0.87 ALDH1A1 (0.41) NPC1L1POLBCHRM2CHRM3
SCHEMBL2381294 0.87 L3MBTL1 (0.48) NPC1L1
SCHEMBL2310823 0.87 OPRM1 (0.49) HTTOPRM1OPRL1CHRM2CHRM4
SCHEMBL2309756 0.84 OPRM1 (0.41) HTTOPRM1OPRL1
SCHEMBL2380347 0.82 CYP3A4 (0.46) NPC1L1HTTOPRM1OPRL1CHRM2
SCHEMBL2309697 0.82 OPRM1 (0.60) HTTOPRM1OPRL1
SCHEMBL2306928 0.82 CA1 (0.48) NPC1L1HTTOPRM1OPRL1POLB
SCHEMBL2308854 0.82 FNTA (0.48) HTTOPRM1OPRL1CHRM2CHRM4
SCHEMBL2308976 0.82 USP2 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011115813-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 WO claimed
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 US claimed
US-8815869-B2 Lactam acetamides as calcium channel blockers ABBVIE INC. (US) 2014-08-26 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

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-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1D, CACNA1S NPC1L1 3605/4885HTT 4440/4885SIGMAR1 1141/4885

“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.