SCHEMBL5112751

SCHEMBL5112751

O=C(c1ccc2c(c1)Sc1ccccc1N2C1CCN(Cc2ccccn2)CC1)N1CCC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
DRD4 P21917 1/20 0.41
OXTR P30559 1/20 0.40
MEN1 O00255 1/20 0.40
CXCR3 P49682 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5119418 0.85 KMT2A (0.44) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL5119412 0.85 KMT2A (0.44) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL5115893 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1OXTRSMN1; SMN2NPC1
SCHEMBL5111729 0.82 NPC1 (0.49) HRH3ALDH1A1KDM4EMAPK1KMT2A
SCHEMBL5507817 0.81 L3MBTL1 (0.51) HRH3ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL5118837 0.78 L3MBTL1 (0.43) HRH3KDM4EKMT2AL3MBTL1DRD4
SCHEMBL5112122 0.78 CHRM1 (0.46) HRH3KDM4EMAPK1KMT2AL3MBTL1
SCHEMBL27709208 0.78 RAB9A (0.40) HRH3ALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL3178297 0.77 PDK2 (0.41) ALDH1A1MAPTMAPK1KMT2AL3MBTL1
SCHEMBL5504494 0.75 HRH3 (0.43) HRH3ALDH1A1KDM4EMAPTTSHR

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 HRH3 736/4885ALDH1A1 1302/4885KDM4E 2174/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 HRH3 736/4885ALDH1A1 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.