SCHEMBL3321822

SCHEMBL3321822

O=C([C@H]1CC[C@@H](Nc2cccc(Cl)c2)CC1)N1CCN(CC2CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.51
KCNH2 Q12809 1/20 0.51
ADRB2 P07550 1/20 0.47
KDM2B Q8NHM5 2/20 0.46
ALDH1A1 P00352 3/20 0.45
ALDH1A2 O94788 1/20 0.45
ALDH2 P05091 1/20 0.45
ALDH3A1 P30838 1/20 0.45
ALDH1A3 P47895 1/20 0.45
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
POLB P06746 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL3321818 1.00 CCR2 (0.51) CCR2KCNH2ADRB2KDM2BALDH1A1
SCHEMBL3326894 0.87 TP53 (0.52) CCR2KCNH2KDM2BMAPTTSHR
SCHEMBL3326895 0.87 TP53 (0.52) CCR2KCNH2KDM2BMAPTTSHR
SCHEMBL3330494 0.81 ALDH1A1 (0.53) CCR2KCNH2KDM2BALDH1A1EPHX2
SCHEMBL3325322 0.81 ALDH1A1 (0.46) ALDH1A1EPHX2HRH3LMNA
SCHEMBL3327475 0.81 ALDH1A1 (0.53) CCR2KCNH2KDM2BALDH1A1EPHX2
SCHEMBL3326517 0.81 ALDH1A1 (0.46) ALDH1A1EPHX2HRH3LMNA
SCHEMBL3322346 0.81 KMT2A (0.54) CCR2KCNH2KDM2BALDH1A1KDM4E
SCHEMBL3322344 0.81 KMT2A (0.54) CCR2KCNH2KDM2BALDH1A1KDM4E
SCHEMBL3325324 0.81 ALDH1A1 (0.46) ALDH1A1EPHX2HRH3LMNA

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 CCR2 260/4885KCNH2 455/4885ADRB2 31/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 CCR2 260/4885KCNH2 455/4885ADRB2 31/4885

“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.