SCHEMBL2116329

SCHEMBL2116329

CC(CC(OC(N)=O)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2B P41595 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HTR1A P08908 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2116418 0.85 ADRB1 (0.54) ADRB1HTR2AHTR2BSIGMAR1HTR1A
SCHEMBL3411478 0.85 ADRB1 (0.70) ADRB1HTR2AHTR2BSIGMAR1MEN1
SCHEMBL2115763 0.85 ADRB1 (0.70) ADRB1HTR2AHTR2BSIGMAR1MEN1
SCHEMBL2114668 0.82 ADRB1 (0.70) ADRB1HTR2AHTR2BSIGMAR1HTR1A
SCHEMBL2116100 0.82 ADRB1 (0.50) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL904492 0.82 ADRB1 (0.55) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2114232 0.81 ADRB1 (0.49) ADRB1HTR2AHTR2BSIGMAR1MAPT
SCHEMBL2113715 0.78 ADRB1 (0.64) ADRB1HTR2AHTR2BSIGMAR1HTR1A
SCHEMBL2296644 0.78 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7760522 0.77 SIRT6 (0.54) KMT2APOLBALDH1A1LMNAMAPT

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 7 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
CN-101679400-B 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 2013-04-17 CN 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

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 ADRB1 315/4885HTR2A 31/4885HTR2B 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.