SCHEMBL4463840

SCHEMBL4463840

CN(C(=O)CN(c1ccccc1)c1ccccc1)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.57
SIGMAR1 Q99720 4/20 0.57
CHRM2 P08172 8/20 0.55
CHRM3 P20309 8/20 0.55
KCNH2 Q12809 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
DRD2 P14416 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
CCR5 P51681 1/20 0.50
CHRM4 P08173 1/20 0.49
LTA4H P09960 1/20 0.48
ACHE P22303 1/20 0.47

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
SCHEMBL4463836 1.00 OPRM1 (0.57) OPRM1SIGMAR1CHRM2CHRM3KCNH2
SCHEMBL3817982 0.83 OPRM1 (0.59) OPRM1SIGMAR1CHRM2CHRM3KCNH2
SCHEMBL1220330 0.83 OPRM1 (0.59) OPRM1SIGMAR1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL4469376 0.82 OPRM1 (0.57) OPRM1SIGMAR1CHRM2CHRM3KCNH2
SCHEMBL10654998 0.82 LTA4H (0.64) OPRM1SIGMAR1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL4469375 0.82 OPRM1 (0.57) OPRM1SIGMAR1CHRM2CHRM3KCNH2
SCHEMBL4464056 0.81 OPRM1 (0.57) OPRM1SIGMAR1CHRM2CHRM3KCNH2
SCHEMBL5718487 0.81 OPRM1 (0.57) OPRM1SIGMAR1CHRM2CHRM3KCNH2
SCHEMBL13920772 0.81 CCR5 (0.61) KCNH2CCR5
SCHEMBL3075042 0.80 CHRM2 (0.63) SIGMAR1CHRM2CHRM3DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US disclosed
EP-1718633-A1 N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-11-08 EP disclosed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 WO disclosed
US-20050165065-A1 N-type calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2005-07-28 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-20050165065-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1D OPRM1 592/4885SIGMAR1 2850/4885CHRM2 911/4885

“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.