SCHEMBL2380587

SCHEMBL2380587

O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC[C@H]2CNC[C@H]21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
F2 P00734 5/20 0.35
PRSS1 P07477 4/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
PREP P48147 2/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
EPHX2 P34913 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2379743 0.82 CHRNB2 (0.43) PARP1OPRM1OPRL1CHRM2CHRM4
SCHEMBL2380937 0.81 DRD2 (0.42) F2PRSS1OPRM1OPRL1CHRM3
SCHEMBL2311920 0.77 PPID (0.42) EPHX2PPID
SCHEMBL2381415 0.76 NPC1L1 (0.45) OPRM1OPRL1CHRM2CHRM4CHRM1
SCHEMBL2535993 0.75 OPRL1 (0.36) OPRM1OPRL1CNR2
SCHEMBL2538171 0.75 OPRL1 (0.36) OPRM1OPRL1CNR2
SCHEMBL2380933 0.75 HTT (0.41) F2PRSS1OPRM1OPRL1SMN1; SMN2
SCHEMBL2381083 0.74 PARP1 (0.47) PARP1OPRM1OPRL1DPP4CHRM2
SCHEMBL2380597 0.74 PARP1 (0.47) PARP1OPRM1OPRL1DPP4CHRM2
SCHEMBL2312630 0.74 CPT1A (0.42) EPHX2SMN1; SMN2PPID

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-8815869-B2 Lactam acetamides as calcium channel blockers ABBVIE INC. (US) 2014-08-26 US 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
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 PARP1 1261/4885F2 2169/4885PRSS1 738/4885

“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.