SCHEMBL3322346

SCHEMBL3322346

O=C([C@H]1CC[C@@H](Nc2cccc(Cl)c2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
ALPL P05186 1/20 0.54
ALPI P09923 1/20 0.54
ALPG P10696 1/20 0.54
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HRH3 Q9Y5N1 5/20 0.47
KCNH2 Q12809 4/20 0.47
KDM2B Q8NHM5 2/20 0.45
LMNA P02545 1/20 0.45
CCR2 P41597 1/20 0.45
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL3327516 1.00 KMT2A (0.54) KMT2AALPLALPIALPGMEN1
SCHEMBL3322344 1.00 KMT2A (0.54) KMT2AALPLALPIALPGMEN1
SCHEMBL3327478 0.98 ALDH1A1 (0.53) KMT2AALPLALPIALPGMEN1
SCHEMBL3330494 0.98 ALDH1A1 (0.53) KMT2AALPLALPIALPGMEN1
SCHEMBL3327475 0.98 ALDH1A1 (0.53) KMT2AALPLALPIALPGMEN1
SCHEMBL3325775 0.86 LMNA (0.52) KMT2AHRH3KCNH2LMNANPSR1
SCHEMBL3326452 0.86 LMNA (0.52) KMT2AHRH3KCNH2LMNANPSR1
SCHEMBL3325780 0.86 LMNA (0.52) KMT2AHRH3KCNH2LMNANPSR1
SCHEMBL3325693 0.84 HTT (0.53) KMT2AKDM4EHRH3KCNH2IRAK4
SCHEMBL3326174 0.83 LMNA (0.55) KMT2AMEN1HRH3LMNANPSR1

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 KMT2A 291/4885ALPL 4750/4885ALPI 2112/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 KMT2A 291/4885ALPL 4750/4885ALPI 2112/4885

“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.