SCHEMBL6018439

SCHEMBL6018439

CN(CC1CCC(COCCCCN(CCO)CCO)CC1)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.58
PTGIR P43119 5/20 0.37
ATF4 P18848 1/20 0.36
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGDR Q13258 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6018442 1.00 LSS (0.58) LSSPTGIRATF4PTGER1PTGER4
SCHEMBL6019278 0.95 LSS (0.65) LSSPTGIRATF4PTGER1PTGER4
SCHEMBL6019281 0.95 LSS (0.65) LSSPTGIRATF4PTGER1PTGER4
SCHEMBL6019066 0.92 LSS (0.51) LSSPTGIRATF4PTGER1PTGER4
SCHEMBL6019071 0.92 LSS (0.51) LSSPTGIRATF4PTGER1PTGER4
SCHEMBL6018539 0.90 LSS (0.48) LSSPTGIRATF4PTGER1PTGER4
SCHEMBL6018533 0.90 LSS (0.48) LSSPTGIRATF4PTGER1PTGER4
SCHEMBL6019221 0.88 LSS (0.45) LSSPTGIRATF4PTGER1PTGER4
SCHEMBL6019225 0.88 LSS (0.45) LSSPTGIRATF4PTGER1PTGER4
SCHEMBL6018344 0.88 LSS (0.67) LSSLMNAL3MBTL1ACHEMAPT

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-1456171-B1 SUBSTITUTED CYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-12-20 EP disclosed
US-20050272774-A1 Substituted cyclohexane derivatives ACKERMANN JEAN 2005-12-08 US disclosed
US-6953806-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2005-10-11 US disclosed
EP-1456171-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
US-20030199550-A1 Substituted cyclohexane derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-10-23 US disclosed
WO-2003053919-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2003-07-03 WO 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-20050272774-A1 Substituted cyclohexane derivatives LSS, CYP51A1, CYP8B1 LSS 1/4885PTGIR 464/4885ATF4 3147/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885PTGIR 495/4885ATF4 1869/4885

“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.