SCHEMBL3025600

SCHEMBL3025600

CCCCOc1cccc(CCNC(C(=O)N(C)C)C(O)CCC)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.72
KCNH2 Q12809 7/20 0.59
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
DRD3 P35462 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL3637670 0.87 CYP2D6 (0.74) CYP2D6KCNH2
SCHEMBL3635825 0.84 CYP2D6 (0.70) CYP2D6KCNH2
SCHEMBL3021106 0.84 CYP2D6 (1.00) CYP2D6KCNH2ACHE
SCHEMBL3031010 0.84 CYP2D6 (1.00) CYP2D6KCNH2ACHE
SCHEMBL3031677 0.84 CYP2D6 (1.00) CYP2D6KCNH2ACHE
SCHEMBL3032004 0.83 CYP2D6 (0.78) CYP2D6KCNH2ACHE
Hydrochloric Acid SCHEMBL3036080 0.83 CYP2D6 (0.98) CYP2D6KCNH2ACHE
SCHEMBL3020877 0.82 CYP2D6 (0.77) CYP2D6KCNH2
Hydrochloric Acid SCHEMBL3032495 0.81 CYP2D6 (0.75) CYP2D6KCNH2
SCHEMBL3025772 0.81 CYP2D6 (0.75) CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210631-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-08-19 US claimed

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-20100210631-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1B, SARAF CYP2D6 3284/4885KCNH2 169/4885ADRB2 274/4885

“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.