SCHEMBL6020073

SCHEMBL6020073

C=CCN(C)CC1CCC(CCN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.64
HTR2C P28335 4/20 0.45
HTR2A P28223 3/20 0.45
HTR7 P34969 2/20 0.41
HTR2B P41595 1/20 0.38
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6020076 1.00 LSS (0.64) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6018406 0.92 LSS (0.61) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6018402 0.92 LSS (0.61) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6020069 0.91 LSS (0.67) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6020065 0.91 LSS (0.67) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6019384 0.87 LSS (0.73) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6019387 0.87 LSS (0.73) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6018992 0.87 LSS (0.59) LSSHTR2CHTR2AHTR7MAPT
SCHEMBL6018976 0.87 LSS (0.59) LSSHTR2CHTR2AHTR7MAPT
SCHEMBL6018983 0.87 LSS (0.59) LSSHTR2CHTR2AHTR7MAPT

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 3745/4885HTR2A 3071/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885HTR2C 3643/4885HTR2A 3269/4885

“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.