SCHEMBL3864403

SCHEMBL3864403

Cc1cc(OCC(O)CN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CACNA2D1 P54289 4/20 0.47
CACNA1B Q00975 4/20 0.47
CACNB1 Q02641 4/20 0.47
CACNA1C Q13936 4/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ABCB1 P08183 4/20 0.46
CACNA1G O43497 1/20 0.46
ADRB2 P07550 1/20 0.45

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
SCHEMBL5080776 0.85 ALOX5 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL8446326 0.82 CACNA2D1 (0.44) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL5079954 0.81 KCNH2 (0.51) KMT2ALMNAMEN1SMN1; SMN2CACNA1C
SCHEMBL5024651 0.75 LMNA (0.47) POLBKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL5076799 0.73 KCNH2 (0.50) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL13515702 0.73 LMNA (0.48) KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL3038443 0.73 LMNA (0.48) KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL9001323 0.73 ABCB1 (0.56) KMT2ALMNAMEN1SMN1; SMN2CACNA2D1
SCHEMBL11365566 0.71 LMNA (0.78) KMT2ALMNAMEN1SMN1; SMN2HTT
SCHEMBL3042761 0.70 MEN1 (0.56) KMT2ALMNAMEN1ALDH1A1ALOX15

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 7 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

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 POLB 4151/4885KMT2A 3192/4885LMNA 2305/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 POLB 3927/4885KMT2A 4039/4885LMNA 2327/4885

“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.