SCHEMBL2911334

SCHEMBL2911334

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.55
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.46
CYP2D6 P10635 2/20 0.45
KCNH2 Q12809 1/20 0.45
HTT P42858 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL2911336 1.00 HRH3 (0.55) HRH3ALDH1A1TSHRHPGDCYP2D6
SCHEMBL3326184 1.00 HRH3 (0.55) HRH3ALDH1A1TSHRHPGDCYP2D6
SCHEMBL2916164 0.94 HRH3 (0.50) HRH3ALDH1A1TSHRHPGDCYP2D6
SCHEMBL104632 0.91 HRH3 (0.63) HRH3ALDH1A1TSHRHPGDCYP2D6
SCHEMBL2403246 0.86 HRH3 (0.55) HRH3ALDH1A1TSHRHPGDCYP2D6
SCHEMBL2403244 0.86 HRH3 (0.55) HRH3ALDH1A1TSHRHPGDCYP2D6
SCHEMBL2403284 0.86 HRH3 (0.55) HRH3ALDH1A1TSHRHPGDCYP2D6
SCHEMBL14453913 0.85 HRH3 (0.66) HRH3ALDH1A1TSHRHPGDCYP2D6
SCHEMBL2688840 0.85 ALDH1A1 (0.60) ALDH1A1TSHRHPGDHTTCHRNB2
Hydrochloric Acid SCHEMBL3323905 0.85 HRH3 (0.54) HRH3ALDH1A1TSHRHPGDCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US claimed
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
EP-1979322-A1 CYCLOHEXYL SULFONAMIDE DERIVATIVES HAVING H3 RECEPTOR ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082840-A1 CYCLOHEXYL SULFONAMIDE DERIVATIVES HAVING H3 RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 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 (1 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-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES HRH3, HRH4, HRH1 HRH3 1/4885ALDH1A1 405/4885TSHR 97/4885

“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.