SCHEMBL2291278

SCHEMBL2291278

CCC(C(=O)O)C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.56
SLC6A3 Q01959 5/20 0.56
SLC6A2 P23975 3/20 0.56
TSHR P16473 1/20 0.53
KMO O15229 3/20 0.53
GRN P28799 1/20 0.49
SORT1 Q99523 1/20 0.49
HPGD P15428 1/20 0.47
SRD5A2 P31213 1/20 0.47

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
SCHEMBL19618762 0.81 TSHR (0.51) SLC6A4SLC6A3SLC6A2TSHRKMO
SCHEMBL904487 0.80 HTT (0.51) TSHRSRD5A2
SCHEMBL634228 0.79 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2TSHRKMO
SCHEMBL8305858 0.79 TSHR (0.57) SLC6A4SLC6A3SLC6A2TSHRKMO
SCHEMBL2290370 0.78 SLC6A2 (0.51) SLC6A4SLC6A3SLC6A2HPGD
SCHEMBL7229416 0.77 TPMT (0.48) GRNSORT1
SCHEMBL2294689 0.76 CES2 (0.51) SLC6A3SLC6A2
SCHEMBL15309758 0.76 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2TSHRKMO
SCHEMBL760302 0.76 TSHR (0.57) SLC6A4SLC6A3SLC6A2TSHRKMO
SCHEMBL23792281 0.76 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2TSHRKMO

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 8 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-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 SLC6A4 641/4885SLC6A3 1294/4885SLC6A2 1189/4885
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 SLC6A4 700/4885SLC6A3 1180/4885SLC6A2 1147/4885
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 SLC6A4 727/4885SLC6A3 1265/4885SLC6A2 1346/4885

“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.