SCHEMBL4804528

SCHEMBL4804528

COCCN(C)CCCCCCO[C@H]1CC[C@H](N(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 2/20 0.36
RORC P51449 11/20 0.36
LSS P48449 3/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4804519 1.00 AVPR1B (0.36) AVPR1BRORCLSSPSEN1PSEN2
SCHEMBL4804628 0.93 RORC (0.42) AVPR1BRORCPSEN1PSEN2APH1B
SCHEMBL4804626 0.93 RORC (0.42) AVPR1BRORCPSEN1PSEN2APH1B
SCHEMBL4808112 0.85 NPSR1 (0.38) LSSPSEN1PSEN2APH1BNCSTN
SCHEMBL4808115 0.85 NPSR1 (0.38) LSSPSEN1PSEN2APH1BNCSTN
SCHEMBL4798697 0.84 LSS (0.36) LSSPSEN1PSEN2APH1BNCSTN
SCHEMBL4798692 0.84 LSS (0.36) LSSPSEN1PSEN2APH1BNCSTN
SCHEMBL4797952 0.82 LSS (0.46) LSSALDH1A1
SCHEMBL4797959 0.82 LSS (0.46) LSSALDH1A1
SCHEMBL4806576 0.78 PSEN1 (0.39) LSSPSEN1PSEN2APH1BNCSTN

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 AVPR1B 2748/4885RORC 1116/4885LSS 2/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 AVPR1B 2748/4885RORC 1116/4885LSS 2/4885

“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.