SCHEMBL7805034

SCHEMBL7805034

O=C(CC1CCN(CC(O)C(F)(F)F)CC1)Nc1cc(CF)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CXCR3 P49682 4/20 0.41
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
NAMPT P43490 1/20 0.38
EPHX2 P34913 3/20 0.37
KCNH2 Q12809 2/20 0.37
LMNA P02545 2/20 0.37
MCHR1 Q99705 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
ACP1 P24666 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TACR1 P25103 1/20 0.36
GAA P10253 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
SCHEMBL4277786 0.92 MEN1 (0.47) MEN1KMT2ACXCR3UBE2MDCUN1D1
SCHEMBL4273588 0.83 CXCR3 (0.48) CXCR3UBE2MDCUN1D1NAMPTEPHX2
SCHEMBL15353967 0.80 CXCR3 (0.48) CXCR3NAMPTEPHX2KCNH2LMNA
SCHEMBL16478290 0.80 EPHX2 (0.46) CXCR3UBE2MDCUN1D1NAMPTEPHX2
SCHEMBL14770055 0.80 KCNH2 (0.45) MEN1KMT2ACXCR3UBE2MDCUN1D1
SCHEMBL4284246 0.80 UBE2M (0.48) CXCR3UBE2MDCUN1D1KCNH2CACNA1I
SCHEMBL15353982 0.79 CXCR3 (0.39) MEN1KMT2ACXCR3NAMPTEPHX2
SCHEMBL15353968 0.78 CXCR3 (0.38) MEN1KMT2ACXCR3DCUN1D1NAMPT
SCHEMBL8374009 0.78 CXCR3 (0.48) CXCR3NAMPTEPHX2KCNH2LMNA
SCHEMBL8373007 0.77 CXCR3 (0.47) CXCR3NAMPTEPHX2KCNH2LMNA

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-8377968-B2 N-piperidinyl acetamide derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2013-02-19 US disclosed
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
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 MEN1 3293/4885KMT2A 3069/4885CXCR3 3807/4885

“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.