SCHEMBL3326895

SCHEMBL3326895

O=C([C@H]1CC[C@@H](Nc2ccc(Cl)cc2)CC1)N1CCN(CC2CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
CCR2 P41597 2/20 0.48
KCNH2 Q12809 2/20 0.48
CNR1 P21554 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
KDM2B Q8NHM5 2/20 0.45
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44

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
SCHEMBL3326894 1.00 TP53 (0.52) TP53MAPTHRH3CCR2KCNH2
SCHEMBL3330095 0.88 DRD2 (0.48) MAPTSMN1; SMN2
SCHEMBL3330093 0.88 DRD2 (0.48) MAPTSMN1; SMN2
SCHEMBL3321818 0.87 CCR2 (0.51) MAPTHRH3CCR2KCNH2TSHR
SCHEMBL3321822 0.87 CCR2 (0.51) MAPTHRH3CCR2KCNH2TSHR
SCHEMBL3328036 0.80 POLB (0.49) MAPTHRH3CNR1KMT2APOLB
SCHEMBL3325780 0.80 LMNA (0.52) HRH3KCNH2CNR1KMT2APOLB
SCHEMBL3326452 0.80 LMNA (0.52) HRH3KCNH2CNR1KMT2APOLB
SCHEMBL3325775 0.80 LMNA (0.52) HRH3KCNH2CNR1KMT2APOLB
SCHEMBL3323894 0.80 POLB (0.49) MAPTHRH3CNR1KMT2APOLB

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 TP53 4145/4885MAPT 3053/4885HRH3 1/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 TP53 4145/4885MAPT 3053/4885HRH3 1/4885

“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.