SCHEMBL5115336

SCHEMBL5115336

CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1N2C1CCN(Cc2cccs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CXCR3 P49682 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 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
DRD4 P21917 2/20 0.36
PARP2 Q9UGN5 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
SCHEMBL3177362 0.89 CYP2D6 (0.46) ALDH1A1SMN1; SMN2LMNAHSP90AA1MAPT
SCHEMBL13395103 0.89 CYP2D6 (0.46) ALDH1A1SMN1; SMN2LMNAHSP90AA1MAPT
SCHEMBL5122808 0.88 MEN1 (0.45) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL5118380 0.87 PARP1 (0.39) PARP1ALDH1A1KDM4EGAATDP1
SCHEMBL14015557 0.85 HRH3 (0.34) ALDH1A1CHRM3HRH3MEN1KMT2A
SCHEMBL5119389 0.84 CHRM2 (0.37) ALDH1A1GAAMAPTCHRM2CHRM3
SCHEMBL5115216 0.84 L3MBTL1 (0.41) PARP1ALDH1A1KDM4ECXCR3SMN1; SMN2
SCHEMBL5112158 0.83 SIGMAR1 (0.41) ALDH1A1KDM4ESIGMAR1CHRM3MEN1
SCHEMBL5111497 0.82 PARP1 (0.41) PARP1ALDH1A1HRH3MEN1KMT2A
SCHEMBL5121218 0.80 CHRM3 (0.40) PARP1ALDH1A1KDM4ESMN1; SMN2CHRM2

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 10 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
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP claimed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO 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-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 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.