SCHEMBL4520835

SCHEMBL4520835

COC(=O)c1ccc2c(=O)c3cc(Br)ccc3oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
TSHR P16473 2/20 0.52
TTR P02766 4/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 2/20 0.48
CYP2C9 P11712 1/20 0.48
PTGER1 P34995 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
PTGDR Q13258 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
CREBBP Q92793 1/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45

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
SCHEMBL29887160 0.91 TSHR (0.52) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL29886891 0.91 TSHR (0.52) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL23673548 0.91 TSHR (0.52) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL11319698 0.90 KDM4E (0.56) MAPTTTRKDM4EALDH1A1HPGD
SCHEMBL3966330 0.87 CREBBP (0.56) MAPTTTRKDM4EALDH1A1HPGD
SCHEMBL29886960 0.86 CREBBP (0.49) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL8954266 0.86 CREBBP (0.49) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL29887373 0.86 CREBBP (0.49) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL2628179 0.85 NPC1 (0.52) MAPTTTRKDM4EALDH1A1HPGD
SCHEMBL11868305 0.85 NPC1 (0.66) MAPTTTRKDM4EALDH1A1HPGD

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 6 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 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 1156/4885TSHR 499/4885TTR 2536/4885

“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.