SCHEMBL3393043

SCHEMBL3393043

CN1CCN(C(=O)C2CC2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.64
ADRA2A P08913 2/20 0.64
CHRM1 P11229 2/20 0.64
DRD1 P21728 2/20 0.64
DRD3 P35462 2/20 0.64
SLC6A3 Q01959 2/20 0.64
KCNH2 Q12809 2/20 0.64
CYP2D6 P10635 2/20 0.64
CHRM4 P08173 1/20 0.64
CHRM5 P08912 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CHRM3 P20309 1/20 0.64
ADRA1D P25100 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
HRH1 P35367 1/20 0.64
OPRM1 P35372 1/20 0.64
HTR2B P41595 1/20 0.64
ALDH1A1 P00352 3/20 0.63
KMT2A Q03164 3/20 0.60

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
SCHEMBL3397269 0.93 ALDH1A1 (0.72) ALDH1A1KMT2ACNR1CNR2MEN1
SCHEMBL13400384 0.89 KMT2A (0.64) CYP2D6ALDH1A1KMT2ACNR1CNR2
SCHEMBL3394420 0.89 ALDH1A1 (0.67) ALDH1A1KMT2ACNR1CNR2MEN1
SCHEMBL3395078 0.89 ALDH1A1 (0.67) ALDH1A1KMT2ACNR1CNR2MEN1
SCHEMBL8203698 0.89 ALDH1A1 (0.67) ALDH1A1KMT2ACNR1CNR2MEN1
SCHEMBL3395664 0.89 ALDH1A1 (0.67) ALDH1A1KMT2ACNR1CNR2MEN1
SCHEMBL3397990 0.87 NPSR1 (0.71) ALDH1A1KMT2ACNR1CNR2MEN1
SCHEMBL13433213 0.86 KMT2A (0.61) CYP2D6ALDH1A1KMT2ACNR1CNR2
SCHEMBL8202548 0.86 ALDH1A1 (0.67) ALDH1A1KMT2ACNR1CNR2MEN1
SCHEMBL8203934 0.86 ALDH1A1 (0.67) ALDH1A1KMT2ACNR1CNR2MEN1

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 CHRM2 350/4885ADRA2A 256/4885CHRM1 298/4885

“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.