SCHEMBL2540238

SCHEMBL2540238

CN(C(=O)CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.54
SIGMAR1 Q99720 2/20 0.49
CHRM3 P20309 1/20 0.49
CHRM4 P08173 2/20 0.46
OPRL1 P41146 1/20 0.46
UBE2M P61081 3/20 0.45
DCUN1D1 Q96GG9 3/20 0.45
FAAH O00519 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
DRD4 P21917 2/20 0.43
GPR119 Q8TDV5 3/20 0.43
HSD11B1 P28845 1/20 0.43
CCR5 P51681 1/20 0.42

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
SCHEMBL2364115 0.86 SIGMAR1 (0.65) SIGMAR1CHRM3CHRM4UBE2MDCUN1D1
SCHEMBL2308735 0.84 FAAH (0.53) SIGMAR1CHRM3CHRM4OPRL1FAAH
SCHEMBL2543843 0.83 SIGMAR1 (0.58) SIGMAR1UBE2MDCUN1D1DRD4
SCHEMBL2544857 0.83 SIGMAR1 (0.58) SIGMAR1UBE2MDCUN1D1DRD4
SCHEMBL2363774 0.81 SIGMAR1 (0.54) KCNH2SIGMAR1CHRM3CHRM4OPRL1
SCHEMBL2309233 0.80 SIGMAR1 (0.67) SIGMAR1CHRM3CHRM4UBE2MDCUN1D1
SCHEMBL2310295 0.79 FAAH (0.55) SIGMAR1CHRM3CHRM4OPRL1FAAH
SCHEMBL13478877 0.79 KCNH2 (0.63) KCNH2SIGMAR1UBE2MDCUN1D1KDM4E
SCHEMBL2537037 0.78 FAAH (0.47) OPRL1FAAHKDM4EALDH1A1GAA
SCHEMBL2307336 0.74 CHRM4 (0.48) CHRM4GAA

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
CN-102239146-A Novel compounds as calcium channel blockers ABBOTT LAB 2011-11-09 CN claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
CN-102239146-A Novel compounds as calcium channel blockers ABBOTT LAB 2011-11-09 CN disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D KCNH2 105/4885SIGMAR1 676/4885CHRM3 220/4885

“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.