SCHEMBL5116402

SCHEMBL5116402

O=C(O)c1cccc2c1Oc1cc(Br)ccc1N2C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
BACE1 P56817 2/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 3/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
MCHR1 Q99705 1/20 0.42
DRD4 P21917 2/20 0.41
PARP1 P09874 2/20 0.41
PARP2 Q9UGN5 2/20 0.41
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL5112877 0.93 PARP1 (0.47) SIGMAR1BACE1KMT2AMAOBOPRM1
SCHEMBL5504897 0.90 SLC6A12 (0.47) SIGMAR1KMT2AOPRM1OPRK1OPRL1
SCHEMBL5503244 0.86 KMT2A (0.42) SIGMAR1BACE1KMT2AMAOBOPRM1
SCHEMBL5117986 0.83 OPRD1 (0.49) OPRM1OPRK1
SCHEMBL5511905 0.79 ADRB2 (0.42) SIGMAR1BACE1KMT2AMAOBOPRM1
SCHEMBL5126292 0.77 KDM4E (0.49) SIGMAR1KMT2AMCHR1
SCHEMBL5115820 0.77 SLC6A12 (0.52) SIGMAR1OPRM1OPRK1OPRL1MCHR1
SCHEMBL14000446 0.77 OPRD1 (0.53) OPRM1OPRK1
SCHEMBL5114230 0.76 OPRD1 (0.52) OPRM1OPRK1
SCHEMBL5126312 0.75 OPRD1 (0.46) KMT2AOPRM1OPRK1OPRL1CHRM2

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 9 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
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
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 SIGMAR1 7/4885BACE1 2686/4885KMT2A 2064/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SIGMAR1 7/4885BACE1 2686/4885KMT2A 2064/4885

“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.