SCHEMBL5236322

SCHEMBL5236322

COc1ccccc1-c1ccc(N2CCCN(c3ccc(-c4ccccc4OC)cn3)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.54
CNR2 P34972 7/20 0.51
CNR1 P21554 1/20 0.51
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 3/20 0.48
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
PDE10A Q9Y233 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL5237336 0.89 EGLN1 (0.54) EGLN1CNR2CNR1CYP1A2CYP2C19
SCHEMBL5231436 0.88 CNR2 (0.51) EGLN1CNR2CNR1ALDH1A1PDE10A
SCHEMBL5238721 0.85 MCHR1 (0.50) CNR2CNR1CYP1A2CYP3A4CYP2D6
SCHEMBL5235567 0.84 CNR2 (0.46) CNR2CNR1ALDH1A1USP2PDE10A
SCHEMBL5234882 0.82 ZAP70 (0.47) CNR2CNR1PDE10A
SCHEMBL5234598 0.82 ZAP70 (0.46) EGLN1CNR2CNR1ALDH1A1PDE10A
SCHEMBL5240826 0.81 EGLN1 (0.43) EGLN1CYP2C19ALDH1A1USP2MEN1
SCHEMBL5625948 0.80 ERN1 (0.61) CNR2PDE10AKDM4E
SCHEMBL5237384 0.79 ZAP70 (0.50) CNR2CNR1ALDH1A1PDE10A
SCHEMBL5231722 0.79 MAP4K1 (0.57) CNR2ALDH1A1PDE10AKDM4EHPGD

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 EGLN1 330/4885CNR2 76/4885CNR1 115/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 EGLN1 488/4885CNR2 309/4885CNR1 312/4885

“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.