SCHEMBL3405055

SCHEMBL3405055

CC[Si](CC)(CC)c1[nH]c2ncccc2c1COCC1CCC(c2ccccc2)(N2CCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 2/20 0.35
▸ HSD11B1 P28845 3/20 0.34
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ PRCP P42785 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ OPRM1 P35372 3/20 0.32
▸ SLC6A9 P48067 2/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ HTR2C P28335 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
SCHEMBL3402250 0.84 OPRL1 (0.40) OPRM1
SCHEMBL4094115 0.82 OPRM1 (0.41) NPY1RHSD11B1OPRM1HTR4
SCHEMBL3406661 0.80 DRD4 (0.45) HSD11B1OPRM1
SCHEMBL3403029 0.79 OPRM1 (0.33) OPRM1ADORA2AADORA1
Hydrochloric Acid SCHEMBL3406467 0.78 OPRM1 (0.33) OPRM1ADORA2AADORA1
SCHEMBL3405127 0.76 OPRM1 (0.33) OPRM1
SCHEMBL3409679 0.73 OPRL1 (0.39) OPRM1
SCHEMBL3405919 0.71 OPRM1 (0.46) OPRM1OPRD1
SCHEMBL3402393 0.70 OPRL1 (0.39) OPRM1
SCHEMBL3402459 0.70 OPRL1 (0.41) OPRM1

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
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 — — EP claimed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 — — US claimed
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 — — EP disclosed
EP-2254864-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2010-12-01 — — EP disclosed
WO-2009106307-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2009-09-03 — — WO disclosed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 — — 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-20090215725-A1 Substituted 4-aminocyclohexane derivatives OPRL1, OPRD1, OPRK1 NPY1R 173/4885HSD11B1 1640/4885GRIN2D 149/4885

“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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