SCHEMBL410115

SCHEMBL410115

C[C@@H]1CCCCC1OCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
OPRK1 P41145 2/20 0.52
OPRD1 P41143 1/20 0.52
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.39
SLC18A2 Q05940 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CYP19A1 P11511 1/20 0.38
SLC18A3 Q16572 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
SCHEMBL409827 1.00 OPRM1 (0.55) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL409662 1.00 OPRM1 (0.55) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL411284 1.00 OPRM1 (0.55) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL19381818 0.87 OPRM1 (0.63) OPRM1OPRK1OPRD1
SCHEMBL2624933 0.83 OPRM1 (0.55) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL2624934 0.83 OPRM1 (0.55) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL12899391 0.83 PSEN1 (0.50) OPRM1OPRK1OPRD1ACHEPSEN1
SCHEMBL13806929 0.83 PSEN1 (0.50) OPRM1OPRK1OPRD1ACHEPSEN1
SCHEMBL14032192 0.83 PSEN1 (0.50) OPRM1OPRK1OPRD1ACHEPSEN1
SCHEMBL13806911 0.83 PSEN1 (0.50) OPRM1OPRK1OPRD1ACHEPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344162-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2013-01-01 US disclosed
US-20120271057-A9 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2012-10-25 US disclosed
US-20120065408-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2012-03-15 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 (2 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-20120065408-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 OPRM1 908/4885OPRK1 749/4885OPRD1 739/4885
US-20120271057-A9 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 OPRM1 908/4885OPRK1 749/4885OPRD1 739/4885

“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.