SCHEMBL4798688

SCHEMBL4798688

CCCN(C)CC#C[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.57
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
APOBEC3A P31941 2/20 0.45
APOBEC3G Q9HC16 2/20 0.45
GPR55 Q9Y2T6 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
NAMPT P43490 3/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL4798681 1.00 L3MBTL1 (0.57) L3MBTL1HTTLMNASMN1; SMN2NPSR1
SCHEMBL4807658 0.84 HTR2A (0.53) L3MBTL1HTR2AHTR2C
SCHEMBL4807662 0.84 HTR2A (0.53) L3MBTL1HTR2AHTR2C
SCHEMBL4798908 0.84 HTR2A (0.44) L3MBTL1MEN1KMT2AGAAKDM4E
SCHEMBL4798912 0.84 HTR2A (0.44) L3MBTL1MEN1KMT2AGAAKDM4E
SCHEMBL4803270 0.82 HTR2A (0.55) L3MBTL1HTR2AHTR2C
SCHEMBL4803262 0.82 HTR2A (0.55) L3MBTL1HTR2AHTR2C
SCHEMBL4797702 0.76 LSS (0.55) LMNASMN1; SMN2KMT2ATSHRGAA
SCHEMBL4797696 0.76 LSS (0.55) LMNASMN1; SMN2KMT2ATSHRGAA
SCHEMBL4801118 0.73 HTR2A (0.54) HTR2AHTR2C

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 L3MBTL1 1448/4885HTT 3733/4885LMNA 2735/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 L3MBTL1 1448/4885HTT 3733/4885LMNA 2735/4885

“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.