SCHEMBL5114986

SCHEMBL5114986

CN1CCC(N2c3ccccc3Sc3cc(C#N)ccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
DRD3 P35462 3/20 0.49
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49
DRD1 P21728 2/20 0.49
PTGS1 P23219 2/20 0.49
ADRA1A P35348 2/20 0.49
OPRM1 P35372 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KCNH2 Q12809 2/20 0.49
LMNA P02545 1/20 0.49
PGR P06401 1/20 0.49
HTR1A P08908 1/20 0.49
TBXA2R P21731 1/20 0.49
ACHE P22303 1/20 0.49
MAPK1 P28482 1/20 0.49
DRD2 P14416 1/20 0.48
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5119926 0.85 SLC6A2 (0.46) ADRA2ASLC6A2SLC6A4DRD3CHRM2
SCHEMBL3177213 0.84 CHRM2 (0.46) ADRA2ASLC6A2SLC6A4DRD3CHRM2
SCHEMBL9611568 0.84 CYP2D6 (0.55) ADRA2ASLC6A2SLC6A4DRD3CHRM2
SCHEMBL5508467 0.83 CHRM2 (0.43) ADRA2ASLC6A2SLC6A4DRD3CHRM2
SCHEMBL5119561 0.81 PIM1 (0.48) ADRA2ASLC6A2SLC6A4DRD3CHRM2
SCHEMBL3167534 0.80 SLC6A2 (0.43) ADRA2ASLC6A2SLC6A4DRD3CHRM2
SCHEMBL5112122 0.79 CHRM1 (0.46) ADRA2ASLC6A2SLC6A4DRD3CHRM2
SCHEMBL5998189 0.77 BCHE (0.45) LMNAMAPK1CYP1A2CYP2D6MAPT
SCHEMBL3179018 0.76 HRH3 (0.44) ADRA2ASLC6A2SLC6A4DRD3CHRM2
SCHEMBL5116460 0.74 L3MBTL3 (0.48) LMNAL3MBTL1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US claimed
CN-101128460-A Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN claimed
US-20060148823-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 US claimed
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 US disclosed
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 US disclosed
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US disclosed
CN-101128460-A Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN disclosed
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed
US-20060148823-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 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 (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-20060148823-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 ADRA2A 14/4885SLC6A2 653/4885SLC6A4 664/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ADRA2A 14/4885SLC6A2 653/4885SLC6A4 664/4885

“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.