SCHEMBL3326099

SCHEMBL3326099

O=C([C@H]1CC[C@H](Nc2ccc(F)cc2)CC1)N1CCN(C2CCOCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 5/20 0.46
EPHX2 P34913 4/20 0.44
HTT P42858 1/20 0.43
CNR2 P34972 1/20 0.43
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL3326101 1.00 MEN1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3324520 0.89 HRH3 (0.56) HRH3
SCHEMBL3325886 0.89 HRH3 (0.56) HRH3
SCHEMBL3324522 0.89 HRH3 (0.56) HRH3
SCHEMBL3327455 0.89 HRH3 (0.53) HRH3
SCHEMBL3324027 0.88 HRH3 (0.52) MEN1KMT2AALDH1A1KDM4EHRH3
SCHEMBL3330185 0.88 HRH3 (0.52) MEN1KMT2AALDH1A1KDM4EHRH3
SCHEMBL3324024 0.88 HRH3 (0.52) MEN1KMT2AALDH1A1KDM4EHRH3
SCHEMBL3330189 0.88 HRH3 (0.52) MEN1KMT2AALDH1A1KDM4EHRH3
SCHEMBL3323116 0.79 CHRNB2 (0.55) KMT2AMAPTEPHX2

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 MEN1 1237/4885KMT2A 291/4885SMN1; SMN2 2460/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 MEN1 1237/4885KMT2A 291/4885SMN1; SMN2 2460/4885

“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.