SCHEMBL3325323

SCHEMBL3325323

CC(C)N1CCN(C(=O)C2CCC(Nc3ccc(Cl)cc3)CC2)CC1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
FPR1 P21462 4/20 0.41
FPR2 P25090 3/20 0.41
CNR1 P21554 1/20 0.41
GFER P55789 2/20 0.41
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
SLC6A9 P48067 2/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR5 P51681 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3325385 1.00 POLB (0.44) POLBFPR1FPR2CNR1GFER
SCHEMBL3325327 1.00 POLB (0.44) POLBFPR1FPR2CNR1GFER
SCHEMBL3329284 0.89 MLNR (0.43) GFERKMT2A
SCHEMBL3329286 0.89 MLNR (0.43) GFERKMT2A
SCHEMBL3327449 0.87 ALDH1A1 (0.42) GFERALDH1A1KMT2A
SCHEMBL3324458 0.87 ALDH1A1 (0.42) GFERALDH1A1KMT2A
SCHEMBL3324461 0.87 ALDH1A1 (0.42) GFERALDH1A1KMT2A
SCHEMBL3326025 0.87 GFER (0.50) POLBGFERNPC1ALDH1A1HTT
SCHEMBL3326029 0.87 GFER (0.50) POLBGFERNPC1ALDH1A1HTT
SCHEMBL3327508 0.83 EPHX2 (0.52) POLB

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 1288/4885FPR1 908/4885FPR2 1456/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 POLB 1288/4885FPR1 908/4885FPR2 1456/4885

“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.