SCHEMBL4492316

SCHEMBL4492316

O=C(O)N(C[C@@H]1CN(Cc2ccc(Cl)s2)CCO1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.42
KCNJ1 P48048 2/20 0.38
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 2/20 0.36
NR1D1 P20393 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
GAA P10253 1/20 0.33
BCHE P06276 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
NR2F2 P24468 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4474051 0.84 DRD4 (0.48) DRD4KCNJ1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5618649 0.84 DRD4 (0.48) DRD4KCNJ1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4487605 0.84 DRD4 (0.48) DRD4KCNJ1ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5618667 0.83 DRD4 (0.48) DRD4KCNJ1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7023395 0.79 DRD4 (0.48) DRD4KCNJ1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4481896 0.79 DRD4 (0.49) DRD4KCNJ1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6668238 0.77 DRD4 (0.43) DRD4ALDH1A1SMN1; SMN2LMNAACHE
SCHEMBL4492306 0.74 KCNJ1 (0.37) DRD4KCNJ1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6642668 0.72 CCR3 (0.46) DRD4ALDH1A1LMNA
SCHEMBL27620276 0.70 ALDH1A1 (0.38) DRD4ALDH1A1SMN1; SMN2GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed
US-20060063765-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-03-23 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-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 DRD4 1757/4885KCNJ1 2059/4885ALDH1A1 2920/4885

“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.