SCHEMBL2824317

SCHEMBL2824317

O=C(Nc1ccc(N2CCN(C3CCCC3)CC2)nc1)N[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
HRH3 Q9Y5N1 9/20 0.47
EPHX2 P34913 2/20 0.45
KDM1A O60341 1/20 0.44
PTPN11 Q06124 1/20 0.43
HDAC1 Q13547 1/20 0.42
FPR1 P21462 2/20 0.41
FPR2 P25090 2/20 0.41
MET P08581 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 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
SCHEMBL2829715 1.00 CNR1 (0.50) CNR1HRH3EPHX2KDM1APTPN11
SCHEMBL2826056 0.83 CNR1 (0.51) CNR1HRH3EPHX2KDM1APTPN11
SCHEMBL2830728 0.83 HRH3 (0.56) CNR1HRH3EPHX2KDM1APTPN11
SCHEMBL2827804 0.81 MEN1 (0.52) HRH3EPHX2KDM4EMAPT
SCHEMBL2829128 0.81 CNR1 (0.48) CNR1HRH3EPHX2KDM1AFPR1
SCHEMBL2825707 0.79 HRH3 (0.55) HRH3PTPN11HDAC1KDM4E
SCHEMBL2830938 0.79 HRH3 (0.50) HRH3PTPN11HDAC1KDM4EMAPT
Cyclohexane SCHEMBL2824747 0.79 HRH3 (0.50) HRH3PTPN11HDAC1KDM4EMAPT
Cyclopropane SCHEMBL2826295 0.79 HRH3 (0.50) HRH3PTPN11HDAC1KDM4EMAPT
Cyclopentane SCHEMBL2825703 0.79 HRH3 (0.50) HRH3PTPN11HDAC1KDM4EMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP claimed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US claimed
EP-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
US-7528135-B2 Pyridine derivatives as H3 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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 (1 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-20060122187-A1 Pyridine derivatives as H3 antagonists HRH3, HRH4, HRH2 CNR1 20/4885HRH3 1/4885EPHX2 1363/4885

“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.