SCHEMBL2117189

SCHEMBL2117189

COc1ccccc1N1CCN(CCCC(OC(N)=O)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.63
ADRB1 P08588 1/20 0.63
HTR2B P41595 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
HTR1A P08908 2/20 0.61
DRD2 P14416 1/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL2118281 0.95 HTR2B (0.70) HTR2AADRB1HTR2BSIGMAR1HTR1A
SCHEMBL2117976 0.88 ADRB1 (0.60) HTR2AADRB1HTR2BSIGMAR1HTR1A
SCHEMBL2116383 0.87 ADRB1 (0.59) HTR2AADRB1HTR2BSIGMAR1HTR1A
SCHEMBL2118496 0.84 ADRB1 (0.73) HTR2AADRB1HTR2BSIGMAR1HTR1A
SCHEMBL2118639 0.83 ADRB1 (0.72) HTR2AADRB1HTR2BSIGMAR1
SCHEMBL2115860 0.83 ADRB1 (0.63) HTR2AADRB1HTR2BSIGMAR1
SCHEMBL2114251 0.81 ADRB1 (0.66) HTR2AADRB1HTR2BSIGMAR1
SCHEMBL2117325 0.80 ADRB1 (0.64) HTR2AADRB1HTR2BSIGMAR1
SCHEMBL2115398 0.80 ADRB1 (0.64) HTR2AADRB1HTR2BSIGMAR1HTR1A
SCHEMBL3188003 0.80 ALDH1A1 (0.71) HTR2AHTR2BHTR1ADRD2KDM4E

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-8815852-B2 Carbamoyloxy arylalkan arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-26 US claimed
US-8815852-B2 Carbamoyloxy arylalkan arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-26 US disclosed
US-8815852-B2 Carbamoyloxy arylalkan arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-26 US disclosed
US-8815852-B2 Carbamoyloxy arylalkan arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-26 US disclosed
EP-2150550-B1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK BIOPHARMACEUTICALS CO LTD (KR) 2013-02-27 EP disclosed
US-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS SK HOLDINGS CO. LTD. (KR) 2012-04-19 US disclosed
US-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS SK HOLDINGS CO. LTD. (KR) 2012-04-19 US disclosed
US-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS SK HOLDINGS CO. LTD. (KR) 2012-04-19 US disclosed
EP-2150550-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-10 EP disclosed
WO-2008140197-A1 NOVEL CARBAMOYLOXY ARYL ALKAN 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 (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-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS OPRL1, OPRD1, TRPV1 HTR2A 31/4885ADRB1 315/4885HTR2B 106/4885

“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.