SCHEMBL4277997

SCHEMBL4277997

CC(C)(N)C(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.55
EPHX2 P34913 4/20 0.46
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NAMPT P43490 1/20 0.43
ACP1 P24666 1/20 0.43
RHOC P08134 2/20 0.43
RHOA P61586 2/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TACR1 P25103 1/20 0.40
PAK1 Q13153 1/20 0.40

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
SCHEMBL8374009 0.92 CXCR3 (0.48) CXCR3EPHX2LMNAALDH1A1NAMPT
SCHEMBL4278127 0.89 CXCR3 (0.56) CXCR3EPHX2LMNAALDH1A1NAMPT
SCHEMBL12004810 0.89 CXCR3 (0.53) CXCR3EPHX2LMNAALDH1A1NAMPT
SCHEMBL4271452 0.87 CXCR3 (0.54) CXCR3EPHX2LMNAALDH1A1NAMPT
SCHEMBL6862660 0.86 CXCR3 (0.48) CXCR3EPHX2LMNAALDH1A1NAMPT
SCHEMBL1445327 0.84 LMNA (0.52) CXCR3EPHX2LMNAALDH1A1NAMPT
SCHEMBL12005795 0.83 CXCR3 (0.50) CXCR3EPHX2LMNAALDH1A1NAMPT
SCHEMBL6863335 0.83 STS (0.56) CXCR3EPHX2MAPTTACR1
SCHEMBL4273193 0.83 CXCR3 (0.46) CXCR3EPHX2LMNAALDH1A1NAMPT
SCHEMBL6863165 0.82 CXCR3 (0.47) CXCR3EPHX2LMNAALDH1A1NAMPT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189839-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS PRAXIS PREC MEDICINES INC (US) 2020-05-20 EP disclosed
EP-3189839-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS PRAXIS PREC MEDICINES INC (US) 2020-05-20 EP disclosed
EP-2300007-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TARO PHARMACEUTICALS INC (CA) 2018-04-18 EP disclosed
EP-2300007-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TARO PHARMACEUTICALS INC (CA) 2018-04-18 EP disclosed
EP-3189839-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Taro Pharmaceuticals Inc. (CA) 2017-07-12 EP disclosed
EP-3189839-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Taro Pharmaceuticals Inc. (CA) 2017-07-12 EP disclosed
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS, LTD. (CA) 2016-06-23 US disclosed
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS, LTD. (CA) 2016-06-23 US disclosed
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS, LTD. (CA) 2016-06-23 US disclosed
US-9096522-B2 N-piperidinyl acetamide derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2015-08-04 US disclosed
US-8569344-B2 N-piperidinyl acetamide derivatives as calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2013-10-29 US disclosed
US-20130065926-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MARK G. DEGIACOMO, CHAPTER 7 TRUSTEE OF EPIRUS BIOPHARMACEUTICALS, INC. 2013-03-14 US disclosed
US-20130065926-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MARK G. DEGIACOMO, CHAPTER 7 TRUSTEE OF EPIRUS BIOPHARMACEUTICALS, INC. 2013-03-14 US disclosed
US-20130065926-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MARK G. DEGIACOMO, CHAPTER 7 TRUSTEE OF EPIRUS BIOPHARMACEUTICALS, INC. 2013-03-14 US disclosed
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-8377968-B2 N-piperidinyl acetamide derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2013-02-19 US disclosed
WO-2009146540-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-12-10 WO 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 (3 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-20130065926-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B CXCR3 3807/4885EPHX2 3915/4885LMNA 1335/4885
US-20090298883-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B CXCR3 3807/4885EPHX2 3915/4885LMNA 1335/4885
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B CXCR3 3807/4885EPHX2 3915/4885LMNA 1335/4885

“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.