SCHEMBL2306928

SCHEMBL2306928

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCNC(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA9 Q16790 2/20 0.48
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40
PARP1 P09874 1/20 0.40
TACR3 P29371 1/20 0.37
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
NPC1L1 Q9UHC9 1/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL2379745 0.82 NPC1L1 (0.46) POLBNPC1L1HTTOPRM1OPRL1
SCHEMBL2312344 0.76 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2KMT2APOLB
SCHEMBL19002804 0.76 CA1 (0.58) CA1CA2CA4CA9ALDH1A1
SCHEMBL5719329 0.75 CA1 (0.62) CA1CA2CA4CA9KMT2A
SCHEMBL4749948 0.75 CA1 (0.62) CA1CA2CA4CA9KMT2A
SCHEMBL3495230 0.75 CA1 (0.62) CA1CA2CA4CA9KMT2A
SCHEMBL2381415 0.75 NPC1L1 (0.45) ALDH1A1LMNASMN1; SMN2KMT2APOLB
SCHEMBL2310823 0.75 OPRM1 (0.49) LMNAKMT2AOPRD1HTTOPRM1
SCHEMBL2309756 0.74 OPRM1 (0.41) ALDH1A1LMNASMN1; SMN2KMT2AHDAC1
SCHEMBL19049072 0.73 CA1 (0.60) CA1CA2CA4CA9TACR3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CA1 854/4885CA2 113/4885CA4 1327/4885

“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.