SCHEMBL3859810

SCHEMBL3859810

O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C2CCCCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 3/20 0.64
CACNA1G O43497 1/20 0.62
CACNA2D1 P54289 6/20 0.59
CACNA1B Q00975 6/20 0.59
CACNB1 Q02641 6/20 0.59
CACNA1C Q13936 3/20 0.59
CACNA1H O95180 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
POLB P06746 1/20 0.57
CHRM1 P11229 1/20 0.54

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
SCHEMBL469112 0.86 KDM4E (0.57) KDM4EALDH1A1CACNA1GTDP1POLB
SCHEMBL16705050 0.86 KDM4E (0.57) KDM4EALDH1A1CACNA1GTDP1POLB
SCHEMBL26330969 0.83 CACNA2D1 (0.81) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL26330804 0.82 HPGD (0.72) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4388697 0.77 KDM4E (0.56) KDM4EALDH1A1POLBCHRM1
SCHEMBL13004966 0.77 NPSR1 (0.67) KDM4EALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL5268034 0.77 CACNA1G (1.00) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
Hydrochloric Acid SCHEMBL4380646 0.76 KDM4E (0.55) KDM4EALDH1A1POLBCHRM1
SCHEMBL13005947 0.76 CHRM3 (0.61) KDM4EALDH1A1POLBCHRM1
SCHEMBL8268615 0.76 CACNA2D1 (0.71) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670775-A4 PIPERAZINE SUBTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-04-22 EP claimed
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US claimed
JP-2007504174-A 2007-03-01 JP claimed
EP-1670775-A1 PIPERAZINE SUBTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-06-21 EP claimed
WO-2005021523-A1 PIPERAZINE SUBSTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2005-03-10 WO claimed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 US claimed
US-20080300262-A1 Combination Therapy for Relief of Pain ZALICUS PHARMACEUTICALS LTD. (CA) 2008-12-04 US disclosed
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US disclosed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 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 (2 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-20040147529-A1 Preferentially substituted calcium channel blockers CACNA1B, CACNA1C, CACNA1D KDM4E 3155/4885ALDH1A1 3720/4885CACNA1G 4/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 KDM4E 3858/4885ALDH1A1 4513/4885CACNA1G 13/4885

“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.