SCHEMBL4481896

SCHEMBL4481896

O=C(O)N(C[C@@H]1CN(Cc2ccc(F)c(F)c2)CCO1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.49
KCNJ1 P48048 2/20 0.43
SIGMAR1 Q99720 3/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38

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
SCHEMBL4487605 0.88 DRD4 (0.48) DRD4KCNJ1ALDH1A1LMNAMAPT
SCHEMBL4474051 0.88 DRD4 (0.48) DRD4KCNJ1ALDH1A1LMNAMAPT
SCHEMBL5618649 0.88 DRD4 (0.48) DRD4KCNJ1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5618667 0.88 DRD4 (0.48) DRD4KCNJ1ALDH1A1LMNAMAPT
SCHEMBL7023395 0.84 DRD4 (0.48) DRD4KCNJ1ALDH1A1LMNAMAPT
SCHEMBL4492316 0.79 DRD4 (0.42) DRD4KCNJ1ALDH1A1LMNAMAPT
SCHEMBL6669700 0.77 DRD4 (0.50) DRD4SIGMAR1LMNAKDM4E
SCHEMBL4481888 0.74 KCNJ1 (0.43) DRD4KCNJ1SIGMAR1ALDH1A1LMNA
SCHEMBL4476568 0.71 DRD4 (0.51) DRD4KCNJ1SIGMAR1ALDH1A1LMNA
SCHEMBL6682343 0.71 DRD4 (0.51) DRD4KCNJ1SIGMAR1ALDH1A1LMNA

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 2059/4885SIGMAR1 128/4885

“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.