SCHEMBL2118281

SCHEMBL2118281

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.70
ADRB1 P08588 1/20 0.70
HTR2A P28223 1/20 0.70
SIGMAR1 Q99720 1/20 0.70
HTR1A P08908 3/20 0.68
HTR1D P28221 1/20 0.64

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
SCHEMBL2117189 0.95 HTR2A (0.63) HTR2BADRB1HTR2ASIGMAR1HTR1A
SCHEMBL2117976 0.93 ADRB1 (0.60) HTR2BADRB1HTR2ASIGMAR1HTR1A
SCHEMBL2116383 0.92 ADRB1 (0.59) HTR2BADRB1HTR2ASIGMAR1HTR1A
SCHEMBL2118496 0.89 ADRB1 (0.73) HTR2BADRB1HTR2ASIGMAR1HTR1A
SCHEMBL2115860 0.88 ADRB1 (0.63) HTR2BADRB1HTR2ASIGMAR1
SCHEMBL2114251 0.86 ADRB1 (0.66) HTR2BADRB1HTR2ASIGMAR1
SCHEMBL2115398 0.85 ADRB1 (0.64) HTR2BADRB1HTR2ASIGMAR1HTR1A
SCHEMBL2117325 0.85 ADRB1 (0.64) HTR2BADRB1HTR2ASIGMAR1
SCHEMBL2115758 0.84 ADRB1 (0.63) HTR2BADRB1HTR2ASIGMAR1
SCHEMBL7458206 0.83 HTR1A (0.78) HTR2BHTR2AHTR1AHTR1D

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-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

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 HTR2B 106/4885ADRB1 315/4885HTR2A 31/4885

“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.