Sugi Predict

Sugi Predict / Compounds / SCHEMBL4522720

SCHEMBL4522720

SCHEMBL4522720

COc1cccc2c1Oc1cc(-c3ccccc3NC(C)=O)ccc1C2C1CC2CCC(C1)N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ NR3C1 P04150 2/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL4512893 0.89 DHODH (0.34) MAPTDHODHKDM4EALDH1A1SMN1; SMN2
SCHEMBL5194715 0.88 NR3C1 (0.35) MAPTLMNAKDM4CADORA3FYN
SCHEMBL5097075 0.88 CHRM3 (0.40) MAPTLMNAKDM4CADORA3FYN
SCHEMBL4518086 0.88 DHODH (0.38) MAPTDHODHMEN1KMT2AKDM4E
SCHEMBL4502634 0.85 AXL (0.35) MAPTLMNAKDM4CADORA3FYN
SCHEMBL5193952 0.80 DHODH (0.35) MAPTKDM4CDHODHKDM4EALDH1A1
SCHEMBL13395156 0.80 BRD4 (0.36) MAPTLMNAKDM4CADORA3FYN
SCHEMBL3168380 0.80 BRD4 (0.36) MAPTLMNAKDM4CADORA3FYN
SCHEMBL5097024 0.77 CHRM1 (0.39) DHODHKDM4E
SCHEMBL4513710 0.76 SLC6A2 (0.38) MAPTLMNAMEN1KMT2AKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US claimed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 — — US claimed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 — — EP disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 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 (1 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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 MAPT 1156/4885LMNA 4142/4885KDM4C 2627/4885

“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.