SCHEMBL3325964

SCHEMBL3325964

CS(=O)(=O)CCN1CCN(C(=O)C2CCC(Nc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.43
RORC P51449 1/20 0.43
CCR5 P51681 1/20 0.42
MLNR O43193 3/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MTNR1B P49286 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL3325967 1.00 L3MBTL1 (0.45) L3MBTL1ALDH1A1RORCCCR5MLNR
SCHEMBL3327437 0.86 ALDH1A1 (0.46) ALDH1A1RORCCCR5MLNRCYP3A4
SCHEMBL3327432 0.86 ALDH1A1 (0.46) ALDH1A1RORCCCR5MLNRCYP3A4
SCHEMBL3321979 0.81 SIGMAR1 (0.41) L3MBTL1CCR5MLNRCYP3A4KDM4E
SCHEMBL3321974 0.81 SIGMAR1 (0.41) L3MBTL1CCR5MLNRCYP3A4KDM4E
SCHEMBL3330095 0.80 DRD2 (0.48) L3MBTL1MLNRCYP3A4MAPTSIGMAR1
SCHEMBL3330093 0.80 DRD2 (0.48) L3MBTL1MLNRCYP3A4MAPTSIGMAR1
SCHEMBL3323071 0.79 HTT (0.59) L3MBTL1ALDH1A1EPHX2
SCHEMBL3323068 0.79 HTT (0.59) L3MBTL1ALDH1A1EPHX2
SCHEMBL3326510 0.78 HRH3 (0.54) L3MBTL1ALDH1A1MLNRCYP3A4

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 L3MBTL1 3512/4885ALDH1A1 405/4885RORC 367/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 L3MBTL1 3512/4885ALDH1A1 405/4885RORC 367/4885

“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.