SCHEMBL2379743

SCHEMBL2379743

O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CC2CNCC2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.43
CHRNB4 P30926 4/20 0.43
CHRNA3 P32297 4/20 0.43
CHRNA7 P36544 4/20 0.43
CHRNA4 P43681 4/20 0.43
PARP1 P09874 1/20 0.41
POLB P06746 1/20 0.40
OPRM1 P35372 8/20 0.38
OPRL1 P41146 8/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1L1 Q9UHC9 1/20 0.36

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 0.85 NPC1L1 (0.45) POLBOPRM1OPRL1CHRM2CHRM4
SCHEMBL2381083 0.84 PARP1 (0.47) PARP1POLBOPRM1OPRL1CHRM2
SCHEMBL2380597 0.84 PARP1 (0.47) PARP1POLBOPRM1OPRL1CHRM2
SCHEMBL2379778 0.84 DDR1 (0.45) OPRM1OPRL1ALDH1A1LMNASMN1; SMN2
SCHEMBL15961351 0.83 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15961350 0.83 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2380587 0.82 PARP1 (0.40) PARP1OPRM1OPRL1CHRM2CHRM4
SCHEMBL2308063 0.80 OPRM1 (0.47) OPRM1OPRL1CHRM2CHRM4CHRM1
SCHEMBL2380347 0.80 CYP3A4 (0.46) OPRM1OPRL1CHRM2CHRM4CHRM1
SCHEMBL2310630 0.80 ALDH1A1 (0.45) OPRM1OPRL1CHRM2CHRM4CHRM1

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 6 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
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 CHRNB2 685/4885CHRNB4 1118/4885CHRNA3 580/4885

“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.