SCHEMBL2632637

SCHEMBL2632637

CO[C@@H]1CCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 1/20 0.46
ENPP3 O14638 2/20 0.45
ENPP1 P22413 2/20 0.45
ENPP2 Q13822 2/20 0.45
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 3/20 0.40
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5222514 1.00 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL12810140 1.00 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5222510 1.00 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5222520 1.00 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5224782 0.97 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5224778 0.97 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5224786 0.97 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL8744470 0.93 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL8744474 0.93 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL8744478 0.93 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3

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-8163938-B2 Aminocyclohexyl ether compounds and uses thereof CARDIOME PHARMA CORP. (CA) 2012-04-24 US disclosed
US-20110004006-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2011-01-06 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-20110004006-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF KCNH2, KCNC1, KCNH3 CYP2D6 58/4885CYP1A2 115/4885CYP3A4 82/4885

“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.