SCHEMBL3397269

SCHEMBL3397269

O=C(C1CC1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
CNR1 P21554 2/20 0.67
CNR2 P34972 2/20 0.67
KMT2A Q03164 3/20 0.64
MAOB P27338 1/20 0.62
MAPT P10636 4/20 0.60
NPSR1 Q6W5P4 4/20 0.60
KDM4E B2RXH2 2/20 0.60
HPGD P15428 1/20 0.60
CACNA2D1 P54289 2/20 0.59
CACNA1B Q00975 2/20 0.59
CACNB1 Q02641 2/20 0.59
CACNA1C Q13936 2/20 0.59
MEN1 O00255 1/20 0.59
CACNA1H O95180 1/20 0.59
MGLL Q99685 1/20 0.57
USP2 O75604 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
LMNA P02545 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
SCHEMBL3395078 0.95 ALDH1A1 (0.67) ALDH1A1CNR1CNR2KMT2AMAOB
SCHEMBL3394420 0.95 ALDH1A1 (0.67) ALDH1A1CNR1CNR2KMT2AMAOB
SCHEMBL3395664 0.95 ALDH1A1 (0.67) ALDH1A1CNR1CNR2KMT2AMAOB
SCHEMBL8203698 0.95 ALDH1A1 (0.67) ALDH1A1CNR1CNR2KMT2AMAOB
SCHEMBL3397990 0.94 NPSR1 (0.71) ALDH1A1CNR1CNR2KMT2AMAOB
SCHEMBL13400384 0.93 KMT2A (0.64) ALDH1A1CNR1CNR2KMT2AMAOB
SCHEMBL3393043 0.93 CHRM2 (0.64) ALDH1A1CNR1CNR2KMT2AMAOB
SCHEMBL3398035 0.92 ALDH1A1 (0.72) ALDH1A1CNR1CNR2KMT2AMAOB
SCHEMBL3395504 0.92 NPSR1 (0.63) ALDH1A1CNR1CNR2KMT2AMAOB
SCHEMBL3396934 0.92 ALDH1A1 (0.72) ALDH1A1CNR1CNR2KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105682-A1 CYCLOPROPYL-PIPERAZINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-04-29 US claimed
EP-2074105-A1 CYCLOPROPYL-PIPERAZINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2009-07-01 EP claimed
WO-2008043183-A1 CYCLOPROPYL-PIPERAZINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-04-17 WO claimed
US-20100105682-A1 CYCLOPROPYL-PIPERAZINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-04-29 US disclosed
US-20100105682-A1 CYCLOPROPYL-PIPERAZINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-04-29 US disclosed
US-20100105682-A1 CYCLOPROPYL-PIPERAZINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-04-29 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 (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-20100105682-A1 CYCLOPROPYL-PIPERAZINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1B, CACNA1F ALDH1A1 2138/4885CNR1 164/4885CNR2 172/4885

“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.