SCHEMBL6018645

SCHEMBL6018645

CN(CC1CCC(CCCCCBr)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.38
CNR2 P34972 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM5A P29375 1/20 0.33
KDM7A Q6ZMT4 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
LIMK2 P53671 1/20 0.32
LSS P48449 3/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL6018647 1.00 GPR119 (0.38) GPR119CNR2HDAC1HDAC2HDAC6
SCHEMBL15017085 0.86 CNR2 (0.38) CNR2HDAC1HDAC2HDAC6LIMK2
SCHEMBL6018562 0.85 TDP1 (0.37) GPR119CNR2HDAC1HDAC2HDAC6
SCHEMBL6018558 0.85 TDP1 (0.37) GPR119CNR2HDAC1HDAC2HDAC6
SCHEMBL6019184 0.85 CNR2 (0.35) GPR119CNR2HDAC1HDAC2HDAC6
SCHEMBL6019187 0.85 CNR2 (0.35) GPR119CNR2HDAC1HDAC2HDAC6
SCHEMBL20176953 0.82 CNR2 (0.34) CNR2HDAC1HDAC2HDAC6LIMK2
SCHEMBL7043748 0.81 CNR2 (0.33) CNR2HDAC6
SCHEMBL6019337 0.80 NR1H2 (0.43) CNR2HDAC1HDAC2HDAC6LIMK2
SCHEMBL6019334 0.80 NR1H2 (0.43) CNR2HDAC1HDAC2HDAC6LIMK2

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 GPR119 272/4885CNR2 496/4885HDAC1 2875/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 GPR119 277/4885CNR2 547/4885HDAC1 2025/4885

“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.