SCHEMBL2824451

SCHEMBL2824451

CCN1CCN(c2ccc(NC(=O)Cc3ccccc3)cn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
WNT3A P56704 3/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
DRD2 P14416 3/20 0.52
HTR1A P08908 1/20 0.52
DRD4 P21917 2/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
NR4A1 P22736 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL2825674 0.90 WNT3A (0.58) MEN1KMT2AWNT3AHSD17B10KDM4E
SCHEMBL21286267 0.88 RAB9A (0.68) MEN1KMT2AWNT3AHSD17B10NPC1
SCHEMBL2828794 0.86 MAPT (0.52) MEN1KMT2AWNT3AHSD17B10DRD2
SCHEMBL2829504 0.84 MCHR1 (0.53) MEN1KMT2ANPC1RAB9ADRD2
SCHEMBL2824295 0.83 SMO (0.53) MEN1KMT2AWNT3ANPC1RAB9A
SCHEMBL2825753 0.82 KDM4E (0.68) KMT2AWNT3AHSD17B10KDM4EALDH1A1
Cyclohexane SCHEMBL2829875 0.82 RAB9A (0.52) WNT3ANPC1RAB9ADRD2DRD4
SCHEMBL2825546 0.81 WNT3A (0.52) MEN1KMT2AWNT3AHSD17B10NPC1
SCHEMBL12811812 0.80 MEN1 (0.60) MEN1KMT2AWNT3AHSD17B10NPC1
SCHEMBL1126180 0.78 KDM1A (0.50) NPC1RAB9AKDM4EMAPTPOLB

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 12 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
CN-101068786-A 3-substituted pyridine derivatives as h3 antagonists HOFFMANN LA ROCHE (CH) 2007-11-07 CN claimed
EP-1824829-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-08-29 EP claimed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US claimed
WO-2006058649-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 WO claimed
EP-3752497-B1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
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
CN-101068786-A 3-substituted pyridine derivatives as h3 antagonists HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
EP-1824829-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-08-29 EP disclosed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US disclosed
WO-2006058649-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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 (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 MEN1 2620/4885KMT2A 164/4885WNT3A 1874/4885

“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.