SCHEMBL3323650

SCHEMBL3323650

CC(C)N1CCN(C(=O)[C@H]2CC[C@H](Nc3ccc4c(c3)CCC4=O)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.41
HRH3 Q9Y5N1 5/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK14 Q16539 2/20 0.39
ROCK2 O75116 2/20 0.38
CYP3A4 P08684 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
PRMT5 O14744 3/20 0.37
WDR77 Q9BQA1 3/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL3323647 1.00 GPR119 (0.41) GPR119HRH3GFERALDH1A1MAPK14
SCHEMBL3330385 1.00 GPR119 (0.41) GPR119HRH3GFERALDH1A1MAPK14
SCHEMBL4608539 0.82 IKZF2 (0.42) GPR119HRH3MAPK14BAZ2B
SCHEMBL3325486 0.79 L3MBTL1 (0.48) HRH3GFERALDH1A1CNR2CNR1
SCHEMBL3324826 0.78 GFER (0.49) HRH3GFERALDH1A1CNR2CNR1
SCHEMBL3324820 0.78 GFER (0.49) HRH3GFERALDH1A1CNR2CNR1
SCHEMBL3326261 0.78 GFER (0.49) HRH3GFERALDH1A1CNR2CNR1
SCHEMBL3323894 0.78 POLB (0.49) HRH3ALDH1A1CNR1
SCHEMBL3328036 0.78 POLB (0.49) HRH3ALDH1A1CNR1
SCHEMBL3327503 0.78 HRH3 (0.54) HRH3GFERALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US disclosed
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HOFFMANN-LA ROCHE INC. 2007-07-19 US 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-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES HRH3, HRH4, HRH1 GPR119 91/4885HRH3 1/4885GFER 3334/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 GPR119 91/4885HRH3 1/4885GFER 3334/4885

“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.