SCHEMBL5120140

SCHEMBL5120140

CN1CCC(N2c3ccccc3Oc3cc(C(=O)O)ccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.49
KDM2B Q8NHM5 1/20 0.44
ALOX5 P09917 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NR4A1 P22736 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
OXTR P30559 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5115161 0.87 P2RX4 (0.49) P2RX4ALOX5KDM4EMEN1KMT2A
SCHEMBL3173074 0.85 HTR3E (0.41) P2RX4ALOX5KDM4EPOLBMEN1
SCHEMBL3175166 0.85 HTR3E (0.41) P2RX4ALOX5KDM4EPOLBMEN1
SCHEMBL5125316 0.85 OPRD1 (0.45) P2RX4
SCHEMBL5115820 0.84 SLC6A12 (0.52) ALDH1A1MAPK1TSHRMAPTDRD4
SCHEMBL5503522 0.84 P2RX4 (0.46) P2RX4KDM2BSCN1ASCN2ASCN3A
SCHEMBL5118934 0.83 NPC1 (0.43) P2RX4ALDH1A1OXTRTSHRSMN1; SMN2
SCHEMBL5118932 0.83 NPC1 (0.43) P2RX4ALDH1A1OXTRTSHRSMN1; SMN2
SCHEMBL14051649 0.81 P2RX4 (0.45) P2RX4ALDH1A1DRD2DRD4
SCHEMBL14015224 0.80 P2RX4 (0.44) P2RX4KDM4EGAAHSD17B10MEN1

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 7 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-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 P2RX4 147/4885KDM2B 3036/4885ALOX5 1363/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 P2RX4 147/4885KDM2B 3036/4885ALOX5 1363/4885

“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.