SCHEMBL3326174

SCHEMBL3326174

O=C([C@H]1CC[C@H](Nc2ccc(Cl)cc2)CC1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 2/20 0.52
HRH3 Q9Y5N1 6/20 0.50
NPSR1 Q6W5P4 1/20 0.48
CNR1 P21554 1/20 0.48
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3326172 1.00 LMNA (0.55) LMNAHTTKMT2AHRH3NPSR1
SCHEMBL3326452 0.97 LMNA (0.52) LMNAHTTKMT2AHRH3NPSR1
SCHEMBL3325775 0.97 LMNA (0.52) LMNAHTTKMT2AHRH3NPSR1
SCHEMBL3325780 0.97 LMNA (0.52) LMNAHTTKMT2AHRH3NPSR1
SCHEMBL3327455 0.88 HRH3 (0.53) HRH3POLB
SCHEMBL3330189 0.86 HRH3 (0.52) HTTKMT2AHRH3MEN1
SCHEMBL3324027 0.86 HRH3 (0.52) HTTKMT2AHRH3MEN1
SCHEMBL3324024 0.86 HRH3 (0.52) HTTKMT2AHRH3MEN1
SCHEMBL3330185 0.86 HRH3 (0.52) HTTKMT2AHRH3MEN1
SCHEMBL3330494 0.86 ALDH1A1 (0.53) LMNAKMT2AHRH3NPSR1MEN1

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 LMNA 1114/4885HTT 1420/4885KMT2A 291/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 LMNA 1114/4885HTT 1420/4885KMT2A 291/4885

“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.