SCHEMBL3327503

SCHEMBL3327503

CC(C)N1CCN(C(=O)[C@H]2CC[C@H](Nc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.54
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
GFER P55789 1/20 0.43
MLNR O43193 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3326514 1.00 HRH3 (0.54) HRH3ALDH1A1L3MBTL1GFERMLNR
SCHEMBL3326510 1.00 HRH3 (0.54) HRH3ALDH1A1L3MBTL1GFERMLNR
SCHEMBL3325486 0.89 L3MBTL1 (0.48) HRH3ALDH1A1L3MBTL1GFER
SCHEMBL3329332 0.88 EPHX2 (0.43) HRH3ALDH1A1L3MBTL1GFERMLNR
SCHEMBL3329336 0.88 EPHX2 (0.43) HRH3ALDH1A1L3MBTL1GFERMLNR
SCHEMBL3328036 0.88 POLB (0.49) HRH3ALDH1A1L3MBTL1KMT2A
SCHEMBL3323894 0.88 POLB (0.49) HRH3ALDH1A1L3MBTL1KMT2A
SCHEMBL3323890 0.88 POLB (0.49) HRH3ALDH1A1L3MBTL1KMT2A
SCHEMBL3327462 0.87 EPHX2 (0.57) HRH3
SCHEMBL5438452 0.87 EPHX2 (0.57) HRH3

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 HRH3 1/4885ALDH1A1 405/4885L3MBTL1 3512/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 HRH3 1/4885ALDH1A1 405/4885L3MBTL1 3512/4885

“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.