SCHEMBL2380347

SCHEMBL2380347

O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CC2(CCNCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 2/20 0.39
CYP2C19 P33261 1/20 0.39
OPRM1 P35372 3/20 0.38
OPRL1 P41146 3/20 0.38
NPC1L1 Q9UHC9 2/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
NAMPT P43490 1/20 0.37
GRM5 P41594 1/20 0.37
HTT P42858 1/20 0.36
LMNA P02545 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 0.90 NPC1L1 (0.45) ALDH1A1OPRM1OPRL1NPC1L1CHRM2
SCHEMBL2381743 0.84 CYP2D6 (0.53) CYP3A4CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL2309710 0.82 HDAC2 (0.41) CYP3A4CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL2379745 0.82 NPC1L1 (0.46) OPRM1OPRL1NPC1L1CHRM2CHRM4
SCHEMBL2309188 0.81 OPRM1 (0.51) OPRM1OPRL1CHRM2CHRM4CHRM1
SCHEMBL2310329 0.81 OPRM1 (0.57) ALDH1A1TSHROPRM1OPRL1CHRM2
SCHEMBL2308063 0.80 OPRM1 (0.47) ALDH1A1TSHROPRM1OPRL1NPC1L1
SCHEMBL2381722 0.80 OPRM1 (0.51) ALDH1A1TSHROPRM1OPRL1NPC1L1
SCHEMBL2379743 0.80 CHRNB2 (0.43) ALDH1A1OPRM1OPRL1NPC1L1CHRM2
SCHEMBL2310630 0.80 ALDH1A1 (0.45) ALDH1A1TSHROPRM1OPRL1NPC1L1

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 CYP3A4 2255/4885CYP1A2 1161/4885CYP2D6 2405/4885

“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.