SCHEMBL3323890

SCHEMBL3323890

CC(C)N1CCN(C(=O)C2CCC(Nc3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
CNR1 P21554 2/20 0.48
CHRNA7 P36544 1/20 0.48
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL3328036 1.00 POLB (0.49) POLBCNR1CHRNA7KMT2AHRH3
SCHEMBL3323894 1.00 POLB (0.49) POLBCNR1CHRNA7KMT2AHRH3
SCHEMBL3325486 0.89 L3MBTL1 (0.48) CNR1HRH3ALDH1A1MAPTHTT
SCHEMBL3327503 0.88 HRH3 (0.54) KMT2AHRH3ALDH1A1L3MBTL1
SCHEMBL3326514 0.88 HRH3 (0.54) KMT2AHRH3ALDH1A1L3MBTL1
SCHEMBL3326510 0.88 HRH3 (0.54) KMT2AHRH3ALDH1A1L3MBTL1
SCHEMBL3324843 0.86 ALDH1A1 (0.50) KMT2AHRH3ALDH1A1MAPTHTT
SCHEMBL3322828 0.86 ALDH1A1 (0.50) KMT2AHRH3ALDH1A1MAPTHTT
SCHEMBL3322830 0.86 ALDH1A1 (0.50) KMT2AHRH3ALDH1A1MAPTHTT
SCHEMBL3324826 0.86 GFER (0.49) POLBCNR1HRH3ALDH1A1MAPT

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 POLB 1288/4885CNR1 13/4885CHRNA7 144/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 POLB 1288/4885CNR1 13/4885CHRNA7 144/4885

“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.