SCHEMBL4805764

SCHEMBL4805764

C=CCN(C)CCCCCCO[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.50
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PTBP1 P26599 1/20 0.38
ATM Q13315 1/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
MCHR1 Q99705 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL4805759 1.00 LSS (0.50) LSSTSHRALDH1A1LMNAPTBP1
SCHEMBL4807825 0.92 LSS (0.51) LSSATMRAB9AMAPT
SCHEMBL4803067 0.92 LSS (0.51) LSSATMRAB9AMAPT
SCHEMBL4807837 0.92 LSS (0.51) LSSATMRAB9AMAPT
SCHEMBL4803072 0.92 LSS (0.51) LSSATMRAB9AMAPT
SCHEMBL4803357 0.92 LSS (0.51) LSSATMRAB9AMAPT
SCHEMBL4803363 0.92 LSS (0.51) LSSATMRAB9AMAPT
SCHEMBL4804882 0.91 LSS (0.50) LSS
SCHEMBL4807242 0.91 LSS (0.61) LSSATMRAB9AMAPT
SCHEMBL4804890 0.91 LSS (0.50) LSS

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-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
CN-1468214-A Novel derivatives of aminocyclohexane - 2004-01-14 CN 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 LSS 2/4885TSHR 4271/4885ALDH1A1 2260/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885TSHR 4271/4885ALDH1A1 2260/4885

“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.