SCHEMBL4798370

SCHEMBL4798370

CCN(CCCCOC1CCC(N(CC)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)CCOC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.51
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR2 Q92731 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RORC P51449 2/20 0.35
CACNA1B Q00975 1/20 0.34

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
SCHEMBL4798377 1.00 LSS (0.51) LSSNPSR1TSHRHTTSMN1; SMN2
SCHEMBL4806343 0.93 LSS (0.58) LSSNPSR1TSHRHTTSMN1; SMN2
SCHEMBL4806346 0.93 LSS (0.58) LSSNPSR1TSHRHTTSMN1; SMN2
SCHEMBL4803220 0.91 LSS (0.61) LSSNPSR1ESR2HTR2AHTR2C
SCHEMBL4803230 0.91 LSS (0.61) LSSNPSR1ESR2HTR2AHTR2C
SCHEMBL4803325 0.91 LSS (0.63) LSSHTTSMN1; SMN2HTR2AHTR2C
SCHEMBL4803319 0.91 LSS (0.63) LSSHTTSMN1; SMN2HTR2AHTR2C
SCHEMBL4799208 0.91 LSS (0.47) LSSNPSR1TSHRHTTSMN1; SMN2
SCHEMBL4799217 0.91 LSS (0.47) LSSNPSR1TSHRHTTSMN1; SMN2
SCHEMBL4799662 0.88 LSS (0.57) LSSNPSR1ESR2HTR2AHTR2C

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 3914/4885TSHR 4271/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885NPSR1 3914/4885TSHR 4271/4885

“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.