SCHEMBL6019232

SCHEMBL6019232

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.46
HTR2C P28335 2/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 3/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
TP53 P04637 1/20 0.35
HTR2A P28223 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRB2 P07550 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
SCHEMBL6019228 1.00 LSS (0.46) LSSHTR2CHTR2BLMNATAS2R14
SCHEMBL6019961 1.00 LSS (0.46) LSSHTR2CHTR2BLMNATAS2R14
SCHEMBL6019043 0.88 LSS (0.62) LSSHTR2CHTR2BHTR2A
SCHEMBL6019036 0.88 LSS (0.62) LSSHTR2CHTR2BHTR2A
SCHEMBL4804709 0.86 LSS (0.57) LSSHTR2CHTR2AL3MBTL1
SCHEMBL4804711 0.86 LSS (0.57) LSSHTR2CHTR2AL3MBTL1
SCHEMBL4805241 0.85 LSS (0.59) LSSHTR2CHTR2AL3MBTL1
SCHEMBL4805250 0.85 LSS (0.59) LSSHTR2CHTR2AL3MBTL1
SCHEMBL4804095 0.83 LSS (0.56) LSSHTR2CHTR2AL3MBTL1
SCHEMBL4804090 0.83 LSS (0.56) LSSHTR2CHTR2AL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456171-B1 SUBSTITUTED CYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-12-20 EP disclosed
US-20050272774-A1 Substituted cyclohexane derivatives ACKERMANN JEAN 2005-12-08 US disclosed
US-6953806-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2005-10-11 US disclosed
EP-1456171-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
US-20030199550-A1 Substituted cyclohexane derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-10-23 US disclosed
WO-2003053919-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2003-07-03 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-20050272774-A1 Substituted cyclohexane derivatives LSS, CYP51A1, CYP8B1 LSS 1/4885HTR2C 3745/4885HTR2B 3635/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885HTR2C 3643/4885HTR2B 4009/4885

“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.