SCHEMBL4801914

SCHEMBL4801914

COCCN(C)CCCCCCO[C@H]1CC[C@H](N(Cc2ccccc2)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.40
HTR2A P28223 4/20 0.39
LTA4H P09960 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LSS P48449 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4801905 1.00 PTGDR2 (0.40) PTGDR2HTR2ALTA4HMEN1KMT2A
SCHEMBL4805940 0.93 CCR5 (0.43) LTA4H
SCHEMBL4805945 0.93 CCR5 (0.43) LTA4H
SCHEMBL4806095 0.92 HTR2A (0.39) PTGDR2HTR2ALTA4HMEN1KMT2A
SCHEMBL7206809 0.92 HTR2A (0.41) PTGDR2HTR2ALTA4HMEN1KMT2A
SCHEMBL7206805 0.92 HTR2A (0.41) PTGDR2HTR2ALTA4HMEN1KMT2A
SCHEMBL4806102 0.92 HTR2A (0.39) PTGDR2HTR2ALTA4HMEN1KMT2A
SCHEMBL4805748 0.90 SIGMAR1 (0.41) LTA4HLSS
SCHEMBL4805756 0.90 SIGMAR1 (0.41) LTA4HLSS
SCHEMBL4806532 0.89 SIGMAR1 (0.42) PTGDR2HTR2ALSS

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 PTGDR2 204/4885HTR2A 3743/4885LTA4H 535/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 PTGDR2 204/4885HTR2A 3743/4885LTA4H 535/4885

“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.