SCHEMBL2364115

SCHEMBL2364115

O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.65
UBE2M P61081 4/20 0.53
DCUN1D1 Q96GG9 4/20 0.53
DRD4 P21917 2/20 0.53
CCR2 P41597 1/20 0.49
CHRM3 P20309 1/20 0.49
CHRM4 P08173 1/20 0.47

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
SCHEMBL2543843 0.95 SIGMAR1 (0.58) SIGMAR1UBE2MDCUN1D1DRD4CCR2
SCHEMBL2544857 0.95 SIGMAR1 (0.58) SIGMAR1UBE2MDCUN1D1DRD4CCR2
SCHEMBL2309233 0.95 SIGMAR1 (0.67) SIGMAR1UBE2MDCUN1D1DRD4CCR2
SCHEMBL2363774 0.92 SIGMAR1 (0.54) SIGMAR1UBE2MDCUN1D1DRD4CCR2
SCHEMBL2306028 0.88 SIGMAR1 (0.60) SIGMAR1UBE2MDCUN1D1DRD4CCR2
SCHEMBL2540413 0.87 SIGMAR1 (0.51) SIGMAR1
SCHEMBL2540238 0.86 KCNH2 (0.54) SIGMAR1UBE2MDCUN1D1DRD4CHRM3
SCHEMBL2308735 0.84 FAAH (0.53) SIGMAR1CHRM3CHRM4
SCHEMBL2538478 0.80 CACNA1B (0.56) SIGMAR1UBE2MDCUN1D1DRD4CCR2
SCHEMBL2536834 0.80 CACNA1B (0.56) SIGMAR1UBE2MDCUN1D1DRD4CCR2

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 10 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
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO 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
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO 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 SIGMAR1 676/4885UBE2M 4149/4885DCUN1D1 1542/4885

“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.