SCHEMBL3330494

SCHEMBL3330494

O=C([C@H]1CC[C@H](Nc2cccc(Cl)c2)CC1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
KDM2B Q8NHM5 1/20 0.46
LMNA P02545 2/20 0.45
ACACB O00763 2/20 0.45
ACACA Q13085 2/20 0.45
KCNH2 Q12809 3/20 0.45
HRH3 Q9Y5N1 2/20 0.45
CCR2 P41597 1/20 0.45
NPC1 O15118 1/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
RAB9A P51151 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
SCHEMBL3327475 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL3327478 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL3322346 0.98 KMT2A (0.54) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL3327516 0.98 KMT2A (0.54) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL3322344 0.98 KMT2A (0.54) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL3325693 0.86 HTT (0.53) KDM4EKMT2AACACBACACAKCNH2
SCHEMBL3326174 0.86 LMNA (0.55) KMT2AMEN1LMNAHRH3NPSR1
SCHEMBL3326172 0.86 LMNA (0.55) KMT2AMEN1LMNAHRH3NPSR1
SCHEMBL3325356 0.84 IRAK4 (0.57) KMT2AKCNH2HRH3CCR2
SCHEMBL3325780 0.83 LMNA (0.52) KMT2ALMNAKCNH2HRH3NPSR1

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 3 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
CN-101374825-A Cyclohexyl piperazinyl methanone derivatives and their use as histamine h3 receptor modulators HOFFMANN LA ROCHE (CH) 2009-02-25 CN 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 405/4885L3MBTL1 3512/4885KDM4E 1294/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 ALDH1A1 405/4885L3MBTL1 3512/4885KDM4E 1294/4885

“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.