SCHEMBL5111497

SCHEMBL5111497

CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1N2C1CCN(Cc2ncc[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
HRH3 Q9Y5N1 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
CCKBR P32239 1/20 0.35
AXL P30530 1/20 0.34
MCHR1 Q99705 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
MOK Q9UQ07 1/20 0.34
HTR4 Q13639 1/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
METAP2 P50579 1/20 0.34
CTSD P07339 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
HTR2B P41595 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL5115216 0.86 L3MBTL1 (0.41) PARP1HRH3ALDH1A1
SCHEMBL5122808 0.85 MEN1 (0.45) MEN1ALDH1A1KMT2AATM
SCHEMBL5119389 0.83 CHRM2 (0.37) HRH3MCHR1MEN1ALDH1A1KMT2A
SCHEMBL5115336 0.82 PARP1 (0.39) PARP1HRH3MEN1ALDH1A1KMT2A
SCHEMBL5112158 0.80 SIGMAR1 (0.41) MEN1ALDH1A1KMT2AATM
SCHEMBL14015557 0.80 HRH3 (0.34) HRH3MOKMEN1ALDH1A1KMT2A
SCHEMBL5121218 0.80 CHRM3 (0.40) PARP1HRH3ALDH1A1METAP2SIRT1
SCHEMBL5111751 0.78 OPRD1 (0.46) PARP1CTSD
SCHEMBL5118612 0.78 ALOX15 (0.39) PARP1ALOX15ALDH1A1HTR2BPDE5A
SCHEMBL13395101 0.77 METAP2 (0.37) PARP1HRH3AAK1ALDH1A1METAP2

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 PARP1 4298/4885HRH3 736/4885IRAK4 2333/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 PARP1 4298/4885HRH3 736/4885IRAK4 2333/4885

“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.