SCHEMBL4283952

SCHEMBL4283952

O=C(NCC1CCN(CCNC(=O)C2(C(F)(F)F)CC2)CC1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.48
CACNA1I Q9P0X4 2/20 0.48
KCNH2 Q12809 2/20 0.48
CHRM4 P08173 5/20 0.47
CCR3 P51677 2/20 0.46
NAMPT P43490 1/20 0.45
HTR7 P34969 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABL1 P00519 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL14770220 0.90 CHRM4 (0.56) CCR2CACNA1IKCNH2CHRM4CCR3
SCHEMBL4274749 0.86 KMT2A (0.54) CCR2CACNA1IKCNH2HTR7HDAC3
SCHEMBL4271174 0.86 CCR2 (0.57) CCR2CACNA1IKCNH2HDAC3HDAC4
SCHEMBL4272474 0.86 KCNH2 (0.55) CCR2CACNA1IKCNH2CHRM4CCR3
SCHEMBL4272268 0.86 CACNA1I (0.65) CCR2CACNA1IKCNH2HTR7HDAC3
SCHEMBL19113045 0.86 CARM1 (0.56) CCR2CACNA1IKCNH2CHRM4CCR3
SCHEMBL13569816 0.85 CHRM4 (0.45) CCR2CHRM4CCR3
SCHEMBL4278715 0.85 CACNA1I (0.53) CCR2CACNA1IKCNH2CHRM4CCR3
SCHEMBL4278873 0.85 CHRM2 (0.52) CCR2CACNA1IKCNH2CHRM4CCR3
SCHEMBL19113599 0.84 CACNA1I (0.53) CCR2CACNA1IKCNH2CHRM4CCR3

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 21 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
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-9096522-B2 N-piperidinyl acetamide derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2015-08-04 US disclosed
US-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2014-01-09 US disclosed
US-8569344-B2 N-piperidinyl acetamide derivatives as calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2013-10-29 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-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
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
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 (4 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 CCR2 2814/4885CACNA1I 4/4885KCNH2 60/4885
US-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B CCR2 2814/4885CACNA1I 4/4885KCNH2 60/4885
US-20090298883-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B CCR2 2814/4885CACNA1I 4/4885KCNH2 60/4885
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B CCR2 2814/4885CACNA1I 4/4885KCNH2 60/4885

“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.