SCHEMBL4095669

SCHEMBL4095669

COC(c1c[nH]c2ccccc12)C1CCC(Cc2ccccc2)(N(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.40
OPRM1 P35372 5/20 0.40
OGFRL1 Q5TC84 1/20 0.40
FFAR1 O14842 2/20 0.39
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
OPRL1 P41146 5/20 0.38
OPRK1 P41145 1/20 0.38
SRC P12931 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL3405975 0.81 OPRL1 (0.54) GPR84OPRM1FFAR1OPRL1OPRK1
SCHEMBL3409372 0.77 OPRM1 (0.41) OPRM1OGFRL1OPRL1OPRK1ALDH1A1
SCHEMBL4089692 0.75 OPRM1 (0.39) OPRM1OGFRL1OPRL1OPRK1MEN1
SCHEMBL3408763 0.72 OPRL1 (0.44) OPRM1OGFRL1CYP2D6SLC6A4OPRL1
SCHEMBL5164787 0.72 OPRL1 (0.69) OPRM1OPRL1ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5164262 0.71 OPRL1 (0.68) OPRM1OPRL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5164225 0.71 OPRL1 (0.48) OPRM1SLC6A2SLC6A4SLC6A3OPRL1
SCHEMBL5167089 0.71 OPRL1 (0.48) OPRM1SLC6A2SLC6A4SLC6A3OPRL1
SCHEMBL13503629 0.71 OPRM1 (0.54) OPRM1OGFRL1OPRL1OPRK1MEN1
SCHEMBL14064206 0.68 NR3C1 (0.47) GPR84FFAR1CYP2D6SLC6A2SLC6A4

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
CN-102015640-A Substituted 4-aminocyclohexane derivatives for the treatment of pain GRUENENTHAL GMBH 2011-04-13 CN 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
CN-102015640-A Substituted 4-aminocyclohexane derivatives for the treatment of pain GRUENENTHAL GMBH 2011-04-13 CN 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 GPR84 159/4885OPRM1 7/4885OGFRL1 695/4885

“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.