SCHEMBL4521161

SCHEMBL4521161

CC(C)(C)OC(=O)N1C2CCC1CC(C1c3ccccc3Oc3cc(C(=N)NO)ccc31)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ HDAC1 Q13547 2/20 0.35
▸ PREP P48147 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ GPR119 Q8TDV5 10/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL4513701 0.88 CHRM1 (0.41) CHRM2CHRM1CHRM3HDAC1PREP
SCHEMBL4513186 0.86 MEN1 (0.38) CHRM2CHRM1CHRM3HDAC1PREP
SCHEMBL13711484 0.84 CHRM2 (0.38) CHRM2CHRM1CHRM3HDAC1PREP
SCHEMBL3173882 0.81 CHRM2 (0.38) CHRM2CHRM1CHRM3HDAC1HSD11B1
SCHEMBL3178084 0.81 CHRM2 (0.38) CHRM2CHRM1CHRM3HDAC1HSD11B1
SCHEMBL3173890 0.81 CHRM2 (0.38) CHRM2CHRM1CHRM3HDAC1HSD11B1
SCHEMBL4515301 0.81 PDK2 (0.40) CHRM2CHRM1CHRM3HDAC1PREP
SCHEMBL4519627 0.81 GPR119 (0.47) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL5090958 0.74 PGR (0.38) CHRM2CHRM1CHRM3HDAC1PGR
SCHEMBL5120584 0.71 KDM4E (0.41) HDAC1GPR119HDAC8HDAC6

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 2 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-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 CHRM2 125/4885CHRM1 93/4885CHRM3 85/4885

“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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