SCHEMBL5103268

SCHEMBL5103268

O=c1[nH]c(-c2ccc3c(c2)Oc2ccccc2C3C2CCN(Cc3ncc[nH]3)CC2)no1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.40
▸ ALOX15 P16050 1/20 0.35
▸ PLA2G2A P14555 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ XDH P47989 2/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ SLC33A1 O00400 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ ADH5 P11766 1/20 0.31

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
SCHEMBL4508872 0.84 PLA2G2A (0.39) PLA2G2AXDHKCNH2HTR2BSLC33A1
SCHEMBL14012180 0.84 PLA2G2A (0.35) PLA2G2AXDHKCNH2MAPTDPP4
SCHEMBL5094857 0.81 PARP1 (0.39) PARP1ALOX15EGLN1ALDH1A1HTR2B
SCHEMBL4517190 0.78 PARP1 (0.38) PARP1ALDH1A1XDHKCNH2PDE5A
SCHEMBL5090930 0.75 OPRD1 (0.48) PARP1ALDH1A1KCNH2
SCHEMBL4514644 0.75 KCNH2 (0.38) PARP1ALDH1A1XDHKCNH2DPP4
SCHEMBL13711483 0.75 PARP1 (0.36) PARP1ALDH1A1XDHKCNH2PDE5A
SCHEMBL13711485 0.73 XDH (0.33) PLA2G2AXDHPDE5A
SCHEMBL4508609 0.68 ADRA2A (0.35) PARP1HTR2BPOLBGAAMAPT
SCHEMBL5126302 0.68 L3MBTL1 (0.38) PARP1PLA2G2AXDHSLC33A1

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-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US claimed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 — — EP claimed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO claimed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 — — US claimed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 — — EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO disclosed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 — — 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-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 PARP1 4298/4885ALOX15 1604/4885PLA2G2A 3722/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 PARP1 4298/4885ALOX15 1604/4885PLA2G2A 3722/4885

“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.

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