SCHEMBL4806887

SCHEMBL4806887

CN(CCO)CCCCCCO[C@H]1CC[C@H](N(C)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
LTA4H P09960 2/20 0.39
CCR5 P51681 1/20 0.39
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
LSS P48449 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TMEM97 Q5BJF2 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
SCHEMBL4806879 1.00 SIGMAR1 (0.42) SIGMAR1LTA4HCCR5CCR6PAX8
SCHEMBL7204007 0.92 SIGMAR1 (0.42) SIGMAR1LTA4HCCR5LSSL3MBTL1
SCHEMBL7204010 0.92 SIGMAR1 (0.42) SIGMAR1LTA4HCCR5LSSL3MBTL1
SCHEMBL4805756 0.91 SIGMAR1 (0.41) SIGMAR1LTA4HCCR5CCR6PAX8
SCHEMBL4805748 0.91 SIGMAR1 (0.41) SIGMAR1LTA4HCCR5CCR6PAX8
SCHEMBL4804405 0.90 SIGMAR1 (0.45) SIGMAR1CCR5CCR6PAX8LSS
SCHEMBL4804412 0.90 SIGMAR1 (0.45) SIGMAR1CCR5CCR6PAX8LSS
SCHEMBL4803635 0.89 LSS (0.49) SIGMAR1CCR5LSS
SCHEMBL4806102 0.89 HTR2A (0.39) SIGMAR1LTA4HCCR6PAX8LSS
SCHEMBL4798956 0.89 CCR5 (0.43) LTA4HCCR5TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 SIGMAR1 4687/4885LTA4H 535/4885CCR5 3866/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 SIGMAR1 4687/4885LTA4H 535/4885CCR5 3866/4885

“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.