SCHEMBL91619

SCHEMBL91619

CC1CC1CNCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.64
CYP2D6 P10635 1/20 0.56
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
KDM1A O60341 1/20 0.50
MAOB P27338 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
SCHEMBL68481 0.83 BCHE (0.68) BCHECYP2D6CYP4F2CYP4A11KDM1A
SCHEMBL91436 0.81 BCHE (0.64) BCHECYP2D6
SCHEMBL2018777 0.81 HTR2A (0.51) CYP2D6KDM1AMAOB
SCHEMBL5215124 0.77 BCHE (0.66) BCHECYP2D6CYP4F2CYP4A11MAOB
SCHEMBL5947384 0.74 BCHE (0.80) BCHECYP2D6CYP4F2CYP4A11
SCHEMBL17210775 0.74 CYP4F2 (0.69) BCHECYP2D6CYP4F2CYP4A11MAOB
SCHEMBL21583899 0.74 BCHE (0.66) BCHECYP2D6CYP4F2CYP4A11MAOB
SCHEMBL5212656 0.73 BCHE (0.65) BCHECYP2D6CYP4F2CYP4A11MAOB
SCHEMBL19532618 0.73 BCHE (1.00) BCHE
SCHEMBL15890882 0.73 CYP2D6 (0.66) BCHECYP2D6CYP4F2CYP4A11MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129427-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-03-06 US disclosed
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-02-24 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-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 BCHE 2604/4885CYP2D6 3730/4885CYP4F2 3435/4885

“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.