SCHEMBL2463430

SCHEMBL2463430

CC1CNCC(C)N1c1cccc(O)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.66
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
DRD2 P14416 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL25144905 0.81 ADRB1 (0.50) OPRM1HTR2AHTR2CHTR2B
SCHEMBL25144854 0.81 ADRB1 (0.50) OPRM1HTR2AHTR2CHTR2B
SCHEMBL19280231 0.79 ALOX5 (0.47) OPRM1MEN1KMT2AHTR2AHTR2C
SCHEMBL19996264 0.79 ALOX5 (0.47) OPRM1MEN1KMT2AHTR2AHTR2C
Hydrochloric Acid SCHEMBL18043593 0.79 ADRB1 (0.49) OPRM1HTR2AHTR2CHTR2B
SCHEMBL29327284 0.79 HTR2C (0.50) OPRM1MEN1KMT2AHTR2AHTR2C
SCHEMBL25144858 0.79 HTR2A (0.50) OPRM1MEN1KMT2AHTR2AHTR2C
SCHEMBL23777634 0.79 HTR2A (0.50) OPRM1MEN1KMT2AHTR2AHTR2C
SCHEMBL30796889 0.79 OPRM1 (1.00) OPRM1MEN1KMT2AHTR2AOPRD1
SCHEMBL27456474 0.79 OPRM1 (1.00) OPRM1MEN1KMT2AHTR2AOPRD1

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-9750738-B2 Arylpiperazine opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2017-09-05 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
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
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 (2 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 OPRM1 2/4885MEN1 4884/4885KMT2A 1908/4885
US-20160095854-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRD1 OPRM1 2/4885MEN1 4884/4885KMT2A 1875/4885

“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.