SCHEMBL1298490

SCHEMBL1298490

COc1ccc(Oc2cc(-c3ccccc3)ccc2N2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.59
HTR7 P34969 6/20 0.59
SLC6A2 P23975 3/20 0.57
SLC6A4 P31645 3/20 0.57
SLC6A3 Q01959 2/20 0.57
HTR3A P46098 7/20 0.52
HTR6 P50406 4/20 0.52
HTR3E A5X5Y0 3/20 0.52
HTR3B O95264 3/20 0.52
HTR3D Q70Z44 3/20 0.52
HTR3C Q8WXA8 3/20 0.52
ADRB1 P08588 3/20 0.52
SIGMAR1 Q99720 2/20 0.52
DRD2 P14416 1/20 0.52
CYP2C19 P33261 1/20 0.52
DRD3 P35462 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTR2B P41595 3/20 0.49
HTR1B P28222 1/20 0.49

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
SCHEMBL7059249 0.87 HTR3A (0.65) HTR1AHTR7SLC6A2SLC6A4SLC6A3
SCHEMBL1298770 0.86 DRD2 (0.51) HTR1AHTR7HTR6DRD2DRD3
SCHEMBL547174 0.83 HTR1A (0.77) HTR1AHTR7SLC6A2SLC6A4SLC6A3
SCHEMBL6963568 0.79 HTR6 (0.65) HTR1AHTR7HTR3AHTR6HTR3E
SCHEMBL7055686 0.78 HTR1A (0.50) HTR1AHTR7SLC6A2SLC6A4SLC6A3
SCHEMBL233151 0.75 HTR3A (0.71) HTR1AHTR7HTR3AHTR6HTR3E
SCHEMBL30747759 0.75 HTR3A (0.71) HTR1AHTR7HTR3AHTR6HTR3E
SCHEMBL14060577 0.74 HTR7 (1.00) HTR1AHTR7HTR3AHTR6HTR3E
SCHEMBL23708324 0.74 ALDH1A1 (0.57) HTR1AHTR3AHTR6HTR3EHTR3B
Hydrochloric Acid SCHEMBL4905371 0.74 HTR3A (0.69) HTR1AHTR7HTR3AHTR6HTR3E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846655-B2 4-substituted-2-phenoxy-phenylamine delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-09-30 US disclosed
US-8846655-B2 4-substituted-2-phenoxy-phenylamine delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-09-30 US disclosed
US-8846655-B2 4-substituted-2-phenoxy-phenylamine delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-09-30 US disclosed
US-20120302541-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-29 US disclosed
US-20120302541-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-29 US disclosed
US-20120302541-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-29 US disclosed
EP-2493852-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP disclosed
US-20110269759-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-11-03 US disclosed
US-20110269759-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-11-03 US disclosed
US-20110269759-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-11-03 US disclosed
WO-2011053706-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
WO-2011053706-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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-20120302541-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS OPRK1, OPRD1, OPRM1 HTR1A 15/4885HTR7 120/4885SLC6A2 542/4885
US-20110269759-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 HTR1A 81/4885HTR7 557/4885SLC6A2 1760/4885

“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.