SCHEMBL5094908

SCHEMBL5094908

Oc1cccc2c1Sc1cc(-c3cccnc3)ccc1C2C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 4/20 0.41
▸ MKNK2 Q9HBH9 4/20 0.41
▸ CYP11B1 P15538 3/20 0.39
▸ CYP11B2 P19099 3/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ WNT1 P04628 1/20 0.39
▸ CYP1A2 P05177 4/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ KDM1A O60341 3/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL5094837 0.89 QDPR (0.34) MKNK1MKNK2CYP11B1CYP1A2CYP3A4
SCHEMBL5090858 0.85 MKNK1 (0.41) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL5094733 0.78 MKNK1 (0.41) MKNK1MKNK2CYP11B1CYP11B2DYRK1A
SCHEMBL5097446 0.73 HTR1A (0.39) CYP19A1
SCHEMBL5094873 0.73 CYP1A2 (0.43) MKNK1MKNK2CYP11B1CYP11B2DYRK1A
SCHEMBL5097030 0.73 CHRM1 (0.39) KDM4E
SCHEMBL5094849 0.68 L3MBTL1 (0.39) DYRK1AWNT1CYP1A2KDM4EALDH1A1
SCHEMBL5097001 0.67 MKNK1 (0.41) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL5217832 0.66 SLC6A2 (0.39) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL5103221 0.65 QDPR (0.34) MKNK1MKNK2CYP11B1CYP1A2CYP3A4

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 12 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
CN-101128458-A Tricyclic delta opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 — — CN 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
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
CN-101128458-A Tricyclic delta opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 — — CN 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 MKNK1 2246/4885MKNK2 2566/4885CYP11B1 426/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 MKNK1 2246/4885MKNK2 2566/4885CYP11B1 426/4885

“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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