SCHEMBL4278328

SCHEMBL4278328

CCN(C(=O)OC(C)(C)C)N1CCC(CNC(=O)c2ccc3c(c2)OC(F)(F)O3)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
SMYD3 Q9H7B4 6/20 0.42
KCNH2 Q12809 5/20 0.39
CACNA1I Q9P0X4 5/20 0.39
DHODH Q02127 1/20 0.38
MCHR1 Q99705 1/20 0.38
HTR4 Q13639 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
F10 P00742 1/20 0.37
RORC P51449 1/20 0.36

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
SCHEMBL4271194 0.80 KCNH2 (0.48) KDM4EPKMSMYD3KCNH2CACNA1I
SCHEMBL14769940 0.78 HTR4 (0.52) SMYD3KCNH2CACNA1IDHODHMCHR1
SCHEMBL31520356 0.77 NPC1L1 (0.46) KDM4EPKMSMYD3ACACBACACA
SCHEMBL8370950 0.74 SMYD3 (0.53) SMYD3KCNH2CACNA1IDHODHMCHR1
SCHEMBL16459248 0.72 SMYD3 (0.49) SMYD3KCNH2CACNA1IDHODHMCHR1
SCHEMBL19701715 0.66 SMYD3 (0.58) SMYD3DHODH
SCHEMBL3645227 0.65 GPR119 (0.45) KDM4EPKMMCHR1
SCHEMBL6879845 0.65 MCHR1 (0.72) SMYD3KCNH2MCHR1
SCHEMBL6879851 0.65 MCHR1 (0.72) SMYD3KCNH2MCHR1
SCHEMBL20615646 0.64 KDM4E (0.79) KDM4EPKMKCNH2RORC

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-8377968-B2 N-piperidinyl acetamide derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2013-02-19 US disclosed
US-20090298883-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MARK G. DEGIACOMO, CHAPTER 7 TRUSTEE OF EPIRUS BIOPHARMACEUTICALS, INC. 2009-12-03 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-20090298883-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KDM4E 4392/4885PKM 4034/4885SMYD3 3801/4885

“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.