SCHEMBL6019987

SCHEMBL6019987

CN(C[C@H]1CC[C@H](OCCCCOCc2ccccc2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.40
BCHE P06276 2/20 0.38
PTGIR P43119 2/20 0.38
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
EPHX2 P34913 1/20 0.37
PPARA Q07869 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
LIMK2 P53671 1/20 0.35

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
SCHEMBL6019982 1.00 L3MBTL1 (0.53) L3MBTL1HTR2CSLC6A4BCHEPTGIR
SCHEMBL6018821 0.81 CYP4F2 (0.33)
SCHEMBL6018690 0.81 CYP4F2 (0.33)
SCHEMBL6018687 0.81 CYP4F2 (0.33)
SCHEMBL27595133 0.80 L3MBTL1 (0.47) L3MBTL1BCHEEPHX2PPARA
SCHEMBL29502278 0.78 L3MBTL1 (0.47) L3MBTL1HTR2CSLC6A4PPARANPSR1
SCHEMBL13096781 0.76 STS (0.52) L3MBTL1BCHEJAK2JAK1
SCHEMBL26102752 0.76 L3MBTL1 (0.47) L3MBTL1HTR2CSLC6A4BCHEOPRM1
SCHEMBL18472504 0.76 L3MBTL1 (0.49) L3MBTL1BCHEEPHX2PPARA
SCHEMBL29502387 0.76 L3MBTL1 (0.47) L3MBTL1HTR2CSLC6A4PPARANPSR1

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 L3MBTL1 1311/4885HTR2C 3745/4885SLC6A4 4588/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 L3MBTL1 1655/4885HTR2C 3643/4885SLC6A4 4715/4885

“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.