SCHEMBL5633504

SCHEMBL5633504

CN(CC1CCN(C(c2ccccc2)c2ccccc2)C1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
KDM4D Q6B0I6 2/20 0.42
CCR5 P51681 1/20 0.41
LIMK2 P53671 1/20 0.41
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
OPRL1 P41146 2/20 0.39
OPRM1 P35372 2/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNB1 Q02641 2/20 0.39
CACNA1A O00555 1/20 0.39
OPRD1 P41143 1/20 0.39
DPP4 P27487 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL13215262 0.91 KMT2A (0.43) SLC6A9MEN1KMT2AALDH1A1POLB
SCHEMBL14476477 0.83 SLC6A9 (0.42) SLC6A9MEN1KMT2AALDH1A1POLB
SCHEMBL5633718 0.81 CACNA2D1 (0.47) SLC6A9MEN1KMT2AALDH1A1POLB
SCHEMBL15626792 0.80 KMT2A (0.42) SLC6A9MEN1KMT2AALDH1A1POLB
SCHEMBL7466092 0.80 CCR5 (0.45) ALDH1A1CCR5KDM4EPKM
SCHEMBL8298777 0.79 CKS1B (0.51) KDM4EPKM
SCHEMBL14459927 0.79 CACNA2D1 (0.46) SLC6A9MEN1KMT2AALDH1A1POLB
SCHEMBL8298024 0.79 ACHE (0.55)
SCHEMBL14459926 0.78 DPP4 (0.48) SLC6A9MEN1KMT2AALDH1A1POLB
SCHEMBL26384523 0.78 GPR119 (0.55) LIMK2HTR2CSLC6A4KDM4EPKM

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
US-7244758-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-07-17 US disclosed
US-7244758-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-07-17 US disclosed
CN-1816332-A 3-aminomethyl-pyrrolidines as N-type calcium channel blockers NEUROMED TECH INC (CA) 2006-08-09 CN disclosed
EP-1633343-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Technologies, Inc. (CA) 2006-03-15 EP disclosed
US-20050014748-A1 N-type calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-01-20 US disclosed
WO-2004105750-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2004-12-09 WO disclosed
WO-2004105750-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2004-12-09 WO 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-20050014748-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1I SLC6A9 1779/4885MEN1 1594/4885KMT2A 3003/4885

“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.