SCHEMBL4804936

SCHEMBL4804936

C=CCN(C)CCCCCCOC1CCC(N(C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.56
USP30 Q70CQ3 3/20 0.43
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.40
MTOR P42345 1/20 0.39
KCNH2 Q12809 1/20 0.38
GPR119 Q8TDV5 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
SCHEMBL4804939 1.00 LSS (0.56) LSSUSP30RAB9APOLBMTOR
SCHEMBL27596326 0.93 RAB9A (0.52) LSSUSP30RAB9A
SCHEMBL27596325 0.93 RAB9A (0.52) LSSUSP30RAB9A
SCHEMBL28749418 0.92 RAB9A (0.53) LSSUSP30RAB9APOLB
SCHEMBL28749416 0.92 RAB9A (0.53) LSSUSP30RAB9APOLB
SCHEMBL4805785 0.91 LSS (0.61) LSSRAB9A
SCHEMBL4807242 0.91 LSS (0.61) LSSRAB9A
SCHEMBL4806270 0.91 LSS (0.61) LSSRAB9A
SCHEMBL4806260 0.91 LSS (0.61) LSSRAB9A
SCHEMBL4807244 0.91 LSS (0.61) LSSRAB9A

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 LSS 2/4885USP30 4136/4885RAB9A 1934/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885USP30 4136/4885RAB9A 1934/4885

“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.