SCHEMBL1344949

SCHEMBL1344949

CCC(C(=O)O)C(=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ESR1 P03372 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL11252686 0.88 PKM (0.37) PKMSMN1; SMN2
SCHEMBL1345064 0.74 CES2 (0.36) PKMSMN1; SMN2CES2CES1
SCHEMBL9593285 0.72 CES2 (0.36) PKMSMN1; SMN2HTTTSHRCES2
SCHEMBL19105220 0.70 PKM (0.37) PKMSMN1; SMN2ESR1GAA
SCHEMBL891617 0.69 PTPN1 (0.47) CES2CES1MEN1KMT2A
Ethylmalonate SCHEMBL107241 0.69
SCHEMBL10137810 0.69 FFAR1 (0.44) PKMSMN1; SMN2HTTTAS1R3TAS1R1
Phosphine SCHEMBL28777955 0.68 KDM4E (0.39) SMN1; SMN2HTTTAS1R3TAS1R1TAS1R2
SCHEMBL8139365 0.68 PKM (0.62) PKMSMN1; SMN2HTTTAS1R3TAS1R1
SCHEMBL4326257 0.67 CES2 (0.50) SMN1; SMN2CES2CES1MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901116-B2 Method for treating pain, anxiety or depression using carbamoyloxy alkanoyl piperazine compound SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-12-02 US disclosed
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-03-27 US disclosed
US-8541409-B2 Carbamoyloxy arylalkanoyl arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-09-24 US disclosed
EP-2155736-B1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO LTD (KR) 2011-12-21 EP disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
EP-2383271-A1 Aminoquinolones as GSK-3 Inhibitors Kyorin Pharmaceutical Co., Ltd. (JP) 2011-11-02 EP disclosed
US-20110195963-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-08-11 US disclosed
US-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO. LTD. (KR) 2010-06-24 US disclosed
EP-2155736-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-24 EP disclosed
WO-2008140198-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 WO 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-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND HTR5A, OPRD1, OPRL1 PKM 1356/4885SMN1; SMN2 3112/4885HTT 796/4885
US-20110195963-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND HTR5A, CNR2, CNR1 PKM 1560/4885SMN1; SMN2 3021/4885HTT 894/4885
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 PKM 1021/4885SMN1; SMN2 2325/4885HTT 665/4885

“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.