SCHEMBL5239673

SCHEMBL5239673

c1ccc(-c2ccc(N3CCCN(c4ccc(-c5ccccc5)cn4)CC3)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.58
HTR1A P08908 1/20 0.53
DRD4 P21917 1/20 0.53
HTR2A P28223 1/20 0.53
SLC6A4 P31645 1/20 0.53
DRD3 P35462 1/20 0.53
CNR1 P21554 1/20 0.50
MGLL Q99685 1/20 0.48
FYN P06241 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A7 Q99884 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRNA7 P36544 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL5238828 0.85 CNR2 (0.54) CNR2CNR1KDM4EALDH1A1
SCHEMBL5235836 0.84 CNR2 (0.63) CNR2CNR1MGLLL3MBTL1
SCHEMBL5238912 0.84 CNR2 (0.56) CNR2CNR1KDM4EMEN1KMT2A
SCHEMBL5238753 0.84 DRD4 (0.55) CNR2HTR1ADRD4HTR2ASLC6A4
SCHEMBL3442195 0.83 GPR119 (0.59) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL16773016 0.83 CNR2 (0.69) CNR2KDM4EMEN1KMT2AALDH1A1
SCHEMBL3442393 0.82 MGLL (0.58) CNR2HTR1ADRD4HTR2ASLC6A4
SCHEMBL5623553 0.80 KDM4E (0.59) MGLLKDM4EL3MBTL1KCNH2
SCHEMBL5236404 0.80 PKM (0.47) CNR2CNR1KDM4EALDH1A1MAPK1
SCHEMBL5239769 0.80 EGLN1 (0.49) CNR2KDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-12 US disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives H1-0, BRD4, PAH CNR2 76/4885HTR1A 504/4885DRD4 885/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 CNR2 309/4885HTR1A 229/4885DRD4 426/4885

“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.