SCHEMBL3326883

SCHEMBL3326883

O=C(C1CCC(Nc2ccc(C(F)(F)F)nc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.59
EPHX2 P34913 4/20 0.45
IRAK4 Q9NWZ3 3/20 0.44
DGAT2 Q96PD7 1/20 0.42
POLB P06746 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HCRTR1 O43613 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3330755 1.00 HRH3 (0.59) HRH3EPHX2IRAK4DGAT2POLB
SCHEMBL3326886 1.00 HRH3 (0.59) HRH3EPHX2IRAK4DGAT2POLB
SCHEMBL3326061 0.84 IRAK4 (0.46) HRH3IRAK4POLB
SCHEMBL3325966 0.84 EPHX2 (0.57) HRH3EPHX2POLB
SCHEMBL3322221 0.84 EPHX2 (0.57) HRH3EPHX2POLB
SCHEMBL3322224 0.84 EPHX2 (0.57) HRH3EPHX2POLB
SCHEMBL3325886 0.83 HRH3 (0.56) HRH3L3MBTL1
SCHEMBL3324522 0.83 HRH3 (0.56) HRH3L3MBTL1
SCHEMBL3324520 0.83 HRH3 (0.56) HRH3L3MBTL1
SCHEMBL3327454 0.83 HRH3 (0.63) HRH3EPHX2DGAT2TRPV1

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 HRH3 1/4885EPHX2 3709/4885IRAK4 1660/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 HRH3 1/4885EPHX2 3709/4885IRAK4 1660/4885

“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.