SCHEMBL2400286

SCHEMBL2400286

CC(C)N1CCN(C(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
CYP2D6 P10635 2/20 0.45
CTSK P43235 2/20 0.43
HPGD P15428 1/20 0.43
BTK Q06187 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KCNH2 Q12809 1/20 0.42
RECQL P46063 1/20 0.41
CYP2C9 P11712 1/20 0.40
HSD11B1 P28845 1/20 0.40
DRD2 P14416 4/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD3 P35462 1/20 0.39
EPHX1 P07099 1/20 0.39
CCR1 P32246 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
SCHEMBL2401387 1.00 HRH3 (0.52) HRH3CYP2D6CTSKHPGDBTK
SCHEMBL2400288 1.00 HRH3 (0.52) HRH3CYP2D6CTSKHPGDBTK
SCHEMBL22928829 0.85 HPGD (0.54) CTSKHPGDBTKCA1CA2
SCHEMBL4713400 0.84 HPGD (0.51) CTSKHPGDBTKCA1CA2
SCHEMBL4713398 0.84 HPGD (0.51) CTSKHPGDBTKCA1CA2
SCHEMBL1456569 0.83 CTSK (0.55) HRH3CYP2D6CTSKBTKCA1
SCHEMBL15685521 0.82 HRH3 (0.45) HRH3CYP2D6CTSKBTKCA1
SCHEMBL12792504 0.82 HRH3 (0.45) HRH3CYP2D6CTSKBTKCA1
SCHEMBL2296901 0.82 RECQL (0.63) CTSKHPGDBTKCA1CA2
SCHEMBL4716377 0.82 CHRNB2 (0.57) CTSKHPGDBTKCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017773-B2 Cyclohexyl sulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
EP-1979322-B1 CYCLOHEXYL SULFONAMIDE DERIVATIVES HAVING H3 RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2010-09-01 EP disclosed
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US disclosed
US-20100120791-A1 CYCLOHEXYL SULFONAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US disclosed
EP-1976840-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-08 EP disclosed
US-20070173511-A1 Cyclohexyl sulfonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 US disclosed
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HOFFMANN-LA ROCHE INC. 2007-07-19 US disclosed
WO-2007080140-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-19 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 (4 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-20100120791-A1 CYCLOHEXYL SULFONAMIDE DERIVATIVES HRH3, HRH4, HRH1 HRH3 1/4885CYP2D6 603/4885CTSK 2768/4885
US-20070173511-A1 Cyclohexyl sulfonamide derivatives HRH3, HRH4, HRH1 HRH3 1/4885CYP2D6 603/4885CTSK 2768/4885
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES HRH3, HRH4, HRH1 HRH3 1/4885CYP2D6 358/4885CTSK 2059/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 HRH3 1/4885CYP2D6 358/4885CTSK 2059/4885

“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.