SCHEMBL2492032

SCHEMBL2492032

C[C@H]1CNCCN1c1cccc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.48
OPRM1 P35372 5/20 0.48
HTR2C P28335 3/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL2466460 1.00 RAD52 (0.48) RAD52OPRM1HTR2CDRD2DRD3
SCHEMBL12335908 1.00 RAD52 (0.48) RAD52OPRM1HTR2CDRD2DRD3
Bromide SCHEMBL2464749 0.98 RAD52 (0.47) RAD52OPRM1HTR2CDRD2DRD3
Bromide SCHEMBL13835750 0.98 RAD52 (0.47) RAD52OPRM1HTR2CDRD2DRD3
SCHEMBL23777830 0.83 ADRB1 (0.57) RAD52HTR2CHTR2AHTR2B
SCHEMBL335553 0.83 ADRB1 (0.57) RAD52HTR2CHTR2AHTR2B
SCHEMBL30996886 0.83 ADRB1 (0.57) RAD52HTR2CHTR2AHTR2B
SCHEMBL23777738 0.83 ADRB1 (0.57) RAD52HTR2CHTR2AHTR2B
SCHEMBL27865382 0.82 OPRM1 (0.46) OPRM1HTR2CDRD2DRD3SLC6A2
SCHEMBL23777584 0.82 HTR2C (0.55) RAD52HTR2CDRD2SLC6A4HTR2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9750738-B2 Arylpiperazine opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2017-09-05 US disclosed
US-9750738-B2 Arylpiperazine opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2017-09-05 US disclosed
US-9750738-B2 Arylpiperazine opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2017-09-05 US disclosed
EP-2773352-B1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RES TRIANGLE INST (US) 2017-06-28 EP disclosed
US-9512105-B2 1-substituted 4-arylpiperazine as kappa opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2016-12-06 US disclosed
US-9512105-B2 1-substituted 4-arylpiperazine as kappa opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2016-12-06 US disclosed
US-20160095854-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2016-04-07 US disclosed
US-20160095854-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2016-04-07 US disclosed
US-20160095854-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2016-04-07 US disclosed
US-9273027-B2 Arylpiperazine opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2016-03-01 US disclosed
EP-2539706-B1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS RES TRIANGLE INST (US) 2015-03-04 EP disclosed
US-20150005315-A1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-01-01 US disclosed
US-20150005315-A1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-01-01 US disclosed
WO-2013086496-A2 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2013-06-13 WO disclosed
EP-2539706-A1 ARYLPIPERAZONE OPIOID RECEPTOR ANTAGONISTS Research Triangle Institute (US) 2013-01-02 EP disclosed
US-20120295919-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2012-11-22 US disclosed
US-20120295919-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2012-11-22 US disclosed
US-20120295919-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2012-11-22 US disclosed
WO-2011106039-A1 ARYLPIPERAZONE OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2011-09-01 WO disclosed
WO-2011106039-A1 ARYLPIPERAZONE OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2011-09-01 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-20120295919-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRD1 RAD52 3754/4885OPRM1 2/4885HTR2C 85/4885
US-20160095854-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRD1 RAD52 3611/4885OPRM1 2/4885HTR2C 81/4885
US-20150005315-A1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS OPRK1, OPRM1, OPRD1 RAD52 3307/4885OPRM1 2/4885HTR2C 130/4885

“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.