SCHEMBL5118380

SCHEMBL5118380

CC(=O)Nc1ccccc1-c1ccc2c(c1)Sc1ccccc1N2C1CCN(Cc2cccs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CXCR3 P49682 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSP90AA1 P07900 1/20 0.37
TSHR P16473 1/20 0.37
NR2F2 P24468 1/20 0.37
HTT P42858 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5115336 0.87 PARP1 (0.39) PARP1ALDH1A1KDM4EGAALMNA
SCHEMBL5115636 0.84 HRH3 (0.41) PARP1ALDH1A1KDM4ELMNAMAPT
SCHEMBL5125147 0.84 CHRM3 (0.43) LMNAMAPTTP53CHRM3
SCHEMBL5120558 0.84 MAPT (0.41) ALDH1A1LMNAMAPTTP53HRH3
SCHEMBL5500227 0.82 PARP1 (0.41) PARP1ALDH1A1KDM4ELMNAHRH3
SCHEMBL5113922 0.80 MAPT (0.43) LMNAMAPTTP53CHRM2CHRM3
Acetamide SCHEMBL27689339 0.79 PARP1 (0.45) PARP1ALDH1A1KDM4EMAPTHRH3
SCHEMBL3175365 0.79 MAPT (0.42) LMNAMAPTTP53TDP1CHRM2
SCHEMBL5119371 0.79 OPRM1 (0.47) PARP1ALDH1A1GAALMNAMAPT
SCHEMBL3179073 0.78 MAPT (0.41) LMNAMAPTTP53HRH3

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 11 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
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 PARP1 4298/4885ALDH1A1 1302/4885KDM4E 2174/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 PARP1 4298/4885ALDH1A1 1302/4885KDM4E 2174/4885

“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.