SCHEMBL3323071

SCHEMBL3323071

CN1CCCN(C(=O)[C@H]2CC[C@H](Nc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.55
ALDH1A1 P00352 1/20 0.48
EPHX2 P34913 1/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GFER P55789 4/20 0.45
CNR2 P34972 2/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL3323068 1.00 HTT (0.59) HTTLMNAALDH1A1EPHX2KMT2A
SCHEMBL3327437 0.83 ALDH1A1 (0.46) ALDH1A1EPHX2
SCHEMBL3327432 0.83 ALDH1A1 (0.46) ALDH1A1EPHX2
SCHEMBL3327453 0.81 L3MBTL1 (0.43) ALDH1A1EPHX2KMT2AL3MBTL1GFER
SCHEMBL3326510 0.81 HRH3 (0.54) ALDH1A1KMT2AL3MBTL1GFER
SCHEMBL3327455 0.81 HRH3 (0.53) L3MBTL1NAMPT
SCHEMBL3324522 0.81 HRH3 (0.56) L3MBTL1
SCHEMBL3325886 0.81 HRH3 (0.56) L3MBTL1
SCHEMBL3327503 0.81 HRH3 (0.54) ALDH1A1KMT2AL3MBTL1GFER
SCHEMBL3324520 0.81 HRH3 (0.56) L3MBTL1

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 HTT 1420/4885LMNA 1114/4885ALDH1A1 405/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 HTT 1420/4885LMNA 1114/4885ALDH1A1 405/4885

“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.