SCHEMBL3324843

SCHEMBL3324843

CC(=O)c1ccc(N[C@H]2CC[C@H](C(=O)N3CCN(C(C)C)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH3 Q9Y5N1 11/20 0.44
EPHX2 P34913 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PANK3 Q9H999 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
SCHEMBL3322828 1.00 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHRH3
SCHEMBL3322830 1.00 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHRH3
SCHEMBL3326310 0.89 HRH3 (0.50) ALDH1A1HRH3EPHX2
SCHEMBL3325423 0.89 HRH3 (0.50) ALDH1A1HRH3EPHX2
SCHEMBL3325419 0.89 HRH3 (0.50) ALDH1A1HRH3EPHX2
SCHEMBL3325914 0.88 ALDH1A1 (0.51) ALDH1A1HRH3HTTRAB9ASMN1; SMN2
SCHEMBL3325486 0.88 L3MBTL1 (0.48) ALDH1A1MAPTHRH3HTTMAPK1
SCHEMBL3323894 0.86 POLB (0.49) ALDH1A1MAPTKMT2AHRH3HTT
SCHEMBL3326510 0.86 HRH3 (0.54) ALDH1A1KMT2AHRH3L3MBTL1
SCHEMBL3327503 0.86 HRH3 (0.54) ALDH1A1KMT2AHRH3L3MBTL1

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 ALDH1A1 405/4885MAPT 3053/4885MEN1 1237/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 ALDH1A1 405/4885MAPT 3053/4885MEN1 1237/4885

“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.