SCHEMBL16459142

SCHEMBL16459142

CC(C)(C)Oc1cccc(C(=O)NCC2CCN(CCNC(=O)O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.56
CACNA1I Q9P0X4 4/20 0.56
CCR3 P51677 2/20 0.54
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
CACNA1H O95180 1/20 0.51
CYP2D6 P10635 1/20 0.51
DRD4 P21917 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL4275627 0.90 KCNH2 (0.55) KCNH2CACNA1ICCR3KDM4EPKM
SCHEMBL4275154 0.86 KCNH2 (0.52) KCNH2CACNA1ICCR3KDM4EPKM
SCHEMBL4276834 0.85 KCNH2 (0.52) KCNH2CACNA1ICCR3KDM4EPKM
SCHEMBL4272474 0.85 KCNH2 (0.55) KCNH2CACNA1ICCR3CACNA1HCYP2D6
SCHEMBL19112976 0.85 KCNH2 (0.51) KCNH2CACNA1ICCR3KDM4EPKM
SCHEMBL4271586 0.84 KCNH2 (0.52) KCNH2CACNA1ICCR3KDM4EPKM
SCHEMBL19113052 0.83 CYP2C9 (0.61) KCNH2CACNA1ICCR3CYP2D6DRD4
SCHEMBL19113045 0.82 CARM1 (0.56) KCNH2CACNA1ICCR3CYP2C9CYP2C19
SCHEMBL4276648 0.82 KCNH2 (0.52) KCNH2CACNA1ICCR3CACNA1HCYP2D6
SCHEMBL19112804 0.81 KCNH2 (0.53) KCNH2CACNA1ICCR3CACNA1HCYP2D6

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-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2014-01-09 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-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KCNH2 60/4885CACNA1I 4/4885CCR3 4458/4885

“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.