SCHEMBL5265583

SCHEMBL5265583

CCOC(=O)C1CN(C(c2ccccc2)c2ccccc2)CCN1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1A O00555 1/20 0.56
CACNA2D1 P54289 1/20 0.56
CACNB1 Q02641 1/20 0.56
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A9 P48067 2/20 0.46
OPRD1 P41143 6/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
OPRM1 P35372 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL21035355 0.86 OPRD1 (0.53) CACNA1ACACNA2D1CACNB1SLC6A9OPRD1
SCHEMBL21035582 0.86 OPRD1 (0.53) CACNA1ACACNA2D1CACNB1SLC6A9OPRD1
SCHEMBL5547616 0.81 CACNA2D1 (0.39) CACNA1ACACNA2D1CACNB1SLC6A2SLC6A3
SCHEMBL3292513 0.78 CACNA1A (0.58) CACNA1ACACNA2D1CACNB1SLC6A9OPRD1
SCHEMBL21035066 0.78 CACNA2D1 (0.48) CACNA1ACACNA2D1CACNB1SLC6A9OPRD1
SCHEMBL7801902 0.77 L3MBTL1 (0.54) KDM4EALDH1A1
SCHEMBL7660403 0.77 SIGMAR1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL13724968 0.77 SLC6A2 (0.50) CACNA1ACACNA2D1CACNB1SLC6A2SLC6A3
SCHEMBL13724540 0.77 SLC6A2 (0.50) CACNA1ACACNA2D1CACNB1SLC6A2SLC6A3
SCHEMBL5392078 0.77 ALDH1A1 (0.66) CACNA1ACACNA2D1CACNB1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1610792-B1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECH INC (CA) 2007-10-10 EP disclosed
EP-1610792-B1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECH INC (CA) 2007-10-10 EP disclosed
US-20060084660-A1 Psychological disorders; analgesics; Parkinson's disease; antiepileptic agents; irritable bowel disorders; antiarrhythmia agents NEUROMED TECHNOLOGIES INC. 2006-04-20 US disclosed
US-20060084660-A1 Psychological disorders; analgesics; Parkinson's disease; antiepileptic agents; irritable bowel disorders; antiarrhythmia agents NEUROMED TECHNOLOGIES INC. 2006-04-20 US disclosed
US-20060084660-A1 Psychological disorders; analgesics; Parkinson's disease; antiepileptic agents; irritable bowel disorders; antiarrhythmia agents NEUROMED TECHNOLOGIES INC. 2006-04-20 US disclosed
EP-1610792-A1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES Neuromed Technologies, Inc. (CA) 2006-01-04 EP disclosed
US-6951862-B2 Calcium channel blockers comprising two benzhydril moieties NEUROMED TECHNOLOGIES, INC. (CA) 2005-10-04 US disclosed
US-6949554-B2 Calcium channel blockers comprising two benzhydril moieties NEUROMED TECHNOLOGIES INC. (CA) 2005-09-27 US disclosed
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-23 US disclosed
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-23 US disclosed
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-23 US disclosed
WO-2004089377-A1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO disclosed
WO-2004089377-A1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO disclosed
US-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-10-21 US disclosed
US-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-10-21 US disclosed
US-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-10-21 US disclosed
US-20040034035-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine NEUROMED TECHNOLOGIES, INC. 2004-02-19 US disclosed
US-4766125-A N-aryl-piperazinealkanamides useful for protecting hearts from myocardial injury caused by ischaemia, anoxia or hypoxia JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-23 US disclosed
EP-0068544-B1 NOVEL N-ARYL-PIPERAZINEALKANAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1987-06-03 EP disclosed
EP-0068544-A2 Novel N-aryl-piperazinealkanamides JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-05 EP 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 (4 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-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties CACNA1C, CACNA1F, CACNA1D CACNA1A 19/4885CACNA2D1 41/4885CACNB1 14/4885
US-20060084660-A1 Psychological disorders; analgesics; Parkinson's disease; antiepileptic agents; irritable bowel disorders; antiarrhythmia agents CACNA1D, CACNA1E, CACNA1B CACNA1A 10/4885CACNA2D1 21/4885CACNB1 36/4885
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties CACNA1C, CACNA1F, CACNA1D CACNA1A 19/4885CACNA2D1 41/4885CACNB1 14/4885
US-20040034035-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D CACNA1A 15/4885CACNA2D1 30/4885CACNB1 14/4885

“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.