SCHEMBL15033397

SCHEMBL15033397

CCCO[C@@H]1CCCC[C@H]1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
MCHR1 Q99705 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL15424813 1.00 CYP19A1 (0.33) CYP19A1CA1CA2CA4MCHR1
SCHEMBL14018563 0.87 CYP1A2 (0.35) CYP19A1CYP1A2
SCHEMBL10151543 0.87 CYP1A2 (0.35) CYP19A1CYP1A2
SCHEMBL10160046 0.87 CYP1A2 (0.35) CYP19A1CYP1A2
SCHEMBL21357953 0.85 KDM4E (0.34) CA1CA2CA4KDM4ECYP1A2
SCHEMBL16656747 0.83 SMN1; SMN2 (0.35) CYP1A2
SCHEMBL14017758 0.83 SMN1; SMN2 (0.35) CYP1A2
SCHEMBL18102782 0.83 SMN1; SMN2 (0.35) CYP1A2
SCHEMBL17266376 0.83 SMN1; SMN2 (0.35) CYP1A2
SCHEMBL19055312 0.81 ALDH1A1 (0.39) CYP19A1CA1CA2CA4KDM4E

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-20150259284-A1 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME INTERNATIONAL SA (CH) 2015-09-17 US disclosed
US-9006460-B2 Process for preparing aminocyclohexyl ether compounds CARDIOME INTERNATIONAL AG (CH) 2015-04-14 US disclosed
US-20130149751-A1 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME INTERNATIONAL SA (CH) 2013-06-13 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-20150259284-A1 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS CYP3A43, CYP4B1, CYP3A4 CYP19A1 74/4885CA1 2272/4885CA2 2293/4885

“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.