SCHEMBL3323116

SCHEMBL3323116

O=C(C1CCC(Nc2ccc(F)cc2)CC1)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
CHRNB3 Q05901 1/20 0.55
CHRNA6 Q15825 1/20 0.55
MLNR O43193 4/20 0.45
CYP3A4 P08684 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
EPHX2 P34913 2/20 0.42
PTK6 Q13882 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 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
SCHEMBL3323119 1.00 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3330095 0.82 DRD2 (0.48) MLNRCYP3A4L3MBTL1MAPT
SCHEMBL3330093 0.82 DRD2 (0.48) MLNRCYP3A4L3MBTL1MAPT
SCHEMBL3327503 0.82 HRH3 (0.54) MLNRCYP3A4L3MBTL1GFERKMT2A
SCHEMBL3326510 0.82 HRH3 (0.54) MLNRCYP3A4L3MBTL1GFERKMT2A
SCHEMBL3325886 0.82 HRH3 (0.56) L3MBTL1
SCHEMBL3327455 0.82 HRH3 (0.53) L3MBTL1
SCHEMBL3324522 0.82 HRH3 (0.56) L3MBTL1
SCHEMBL3327453 0.82 L3MBTL1 (0.43) MLNRCYP3A4L3MBTL1EPHX2GFER
SCHEMBL3324520 0.82 HRH3 (0.56) L3MBTL1

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 4 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
EP-1976840-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-08 EP disclosed
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HOFFMANN-LA ROCHE INC. 2007-07-19 US disclosed
WO-2007080140-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-19 WO 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 CHRNB2 572/4885CHRNA3 110/4885CHRNA4 155/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 CHRNB2 572/4885CHRNA3 110/4885CHRNA4 155/4885

“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.