SCHEMBL4803230

SCHEMBL4803230

CCN(CCO)CCCCO[C@H]1CC[C@H](N(CC)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.61
NPSR1 Q6W5P4 1/20 0.39
ESR2 Q92731 3/20 0.39
RORC P51449 1/20 0.36
CACNA1B Q00975 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
SPPL2B Q8TCT7 1/20 0.35
SPPL2A Q8TCT8 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL4803220 1.00 LSS (0.61) LSSNPSR1ESR2RORCCACNA1B
SCHEMBL4799662 0.97 LSS (0.57) LSSNPSR1ESR2CACNA1BPSEN1
SCHEMBL4799673 0.97 LSS (0.57) LSSNPSR1ESR2CACNA1BPSEN1
SCHEMBL4806343 0.93 LSS (0.58) LSSNPSR1ESR2CACNA1BHTR2A
SCHEMBL4806346 0.93 LSS (0.58) LSSNPSR1ESR2CACNA1BHTR2A
SCHEMBL4798370 0.91 LSS (0.51) LSSNPSR1ESR2RORCCACNA1B
SCHEMBL4798377 0.91 LSS (0.51) LSSNPSR1ESR2RORCCACNA1B
SCHEMBL4798148 0.91 LSS (0.75) LSSHTR2AHTR2C
SCHEMBL4803425 0.91 LSS (0.59) LSSNPSR1ESR2CACNA1BHTR2A
SCHEMBL4798154 0.91 LSS (0.75) LSSHTR2AHTR2C

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 7 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
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO 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 2/4885NPSR1 3914/4885ESR2 701/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885NPSR1 3914/4885ESR2 701/4885

“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.