SCHEMBL4807216

SCHEMBL4807216

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.60
HTR2A P28223 5/20 0.48
HTR2C P28335 2/20 0.48
HTR1A P08908 3/20 0.41
DRD2 P14416 3/20 0.41
HTR7 P34969 3/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 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
SCHEMBL4807207 1.00 LSS (0.60) LSSHTR2AHTR2CHTR1ADRD2
SCHEMBL4807783 0.99 LSS (0.61) LSSHTR2AHTR2CHTR1ADRD2
SCHEMBL4807786 0.99 LSS (0.61) LSSHTR2AHTR2CHTR1ADRD2
SCHEMBL4803212 0.90 LSS (0.74) LSSHTR2AHTR2C
SCHEMBL4803223 0.90 LSS (0.74) LSSHTR2AHTR2C
SCHEMBL4806648 0.90 LSS (0.60) LSSHTR2AHTR2CL3MBTL1
SCHEMBL4804917 0.90 LSS (0.57) LSSHTR2AHTR2C
SCHEMBL4804711 0.90 LSS (0.57) LSSHTR2AHTR2CL3MBTL1
SCHEMBL4804919 0.90 LSS (0.57) LSSHTR2AHTR2C
SCHEMBL4806640 0.90 LSS (0.60) LSSHTR2AHTR2CL3MBTL1

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 2/4885HTR2A 3743/4885HTR2C 3086/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885HTR2A 3743/4885HTR2C 3086/4885

“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.