SCHEMBL3325878

SCHEMBL3325878

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
EPHX2 P34913 1/20 0.44
GFER P55789 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MLNR O43193 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL3325876 1.00 HRH3 (0.50) HRH3EPHX2GFERALDH1A1MAPT
SCHEMBL3329336 0.90 EPHX2 (0.43) HRH3EPHX2GFERALDH1A1MAPT
SCHEMBL3329332 0.90 EPHX2 (0.43) HRH3EPHX2GFERALDH1A1MAPT
SCHEMBL3326514 0.87 HRH3 (0.54) HRH3GFERALDH1A1L3MBTL1MLNR
SCHEMBL3327503 0.87 HRH3 (0.54) HRH3GFERALDH1A1L3MBTL1MLNR
SCHEMBL3326510 0.87 HRH3 (0.54) HRH3GFERALDH1A1L3MBTL1MLNR
SCHEMBL3327437 0.83 ALDH1A1 (0.46) HRH3EPHX2ALDH1A1MAPTKDM4E
SCHEMBL3327432 0.83 ALDH1A1 (0.46) HRH3EPHX2ALDH1A1MAPTKDM4E
SCHEMBL3327453 0.80 L3MBTL1 (0.43) HRH3EPHX2GFERALDH1A1L3MBTL1
SCHEMBL3330093 0.80 DRD2 (0.48) MAPTL3MBTL1MLNRCYP3A4

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 1/4885EPHX2 3709/4885GFER 3334/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 HRH3 1/4885EPHX2 3709/4885GFER 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.