SCHEMBL6618405

SCHEMBL6618405

c1ccc(CC(NCCCNc2ccc3ccccc3n2)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
SLC2A1 P11166 1/20 0.37
RAD52 P43351 1/20 0.37
GPR84 Q9NQS5 2/20 0.36
KCNH2 Q12809 2/20 0.35
NR0B1 P51843 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
NQO2 P16083 1/20 0.35
MEN1 O00255 1/20 0.35
VDR P11473 1/20 0.35
FFAR1 O14842 1/20 0.34
KIF20A O95235 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
BCHE P06276 2/20 0.34

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
SCHEMBL6618769 0.84 SLC2A1 (0.47) KMT2ASLC2A1GPR84KCNH2CYP2D6
SCHEMBL6620180 0.80 NPC1 (0.37) KMT2APOLBSLC2A1RAD52GPR84
SCHEMBL6620657 0.77 SLC2A1 (0.43) KMT2ASLC2A1CYP2D6MEN1DRD2
SCHEMBL5943493 0.73 MC1R (0.56) KMT2APOLBSLC2A1RAD52MEN1
SCHEMBL6620440 0.72 P2RY12 (0.36) KMT2APOLBSLC2A1RAD52GPR84
SCHEMBL5943486 0.71 NCF1 (0.59) KMT2APOLBKCNH2DRD2ADRA1A
SCHEMBL6619599 0.71 SLC2A1 (0.52) KMT2ASLC2A1GPR84CYP2D6MEN1
SCHEMBL6621344 0.70 SLC2A1 (0.51) KMT2ASLC2A1GPR84CYP2D6MEN1
SCHEMBL6618499 0.69 SLC2A1 (0.48) KMT2ASLC2A1GPR84MEN1SMN1; SMN2
SCHEMBL6621908 0.69 SLC2A1 (0.49) KMT2ASLC2A1GPR84KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818655-B2 2-AMINOQUINOLINES; CARDIOVASCULAR, GASTROINTESTINAL, PYSCHOLOGICAL, RESPIRATORY AND NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2004-11-16 US claimed
EP-1359915-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM (US) 2004-07-21 EP claimed
US-20040063757-A1 Urotensin-ll receptor antagonists SMITHKLINEE BEECHAM CORPORATION 2004-04-01 US claimed
EP-1359915-A1 UROTENSIN-II RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2003-11-12 EP claimed
WO-2002058702-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (GB) 2002-08-01 WO claimed
US-6818655-B2 2-AMINOQUINOLINES; CARDIOVASCULAR, GASTROINTESTINAL, PYSCHOLOGICAL, RESPIRATORY AND NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
EP-1359915-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM (US) 2004-07-21 EP disclosed
US-20040063757-A1 Urotensin-ll receptor antagonists SMITHKLINEE BEECHAM CORPORATION 2004-04-01 US disclosed
EP-1359915-A1 UROTENSIN-II RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2003-11-12 EP disclosed
WO-2002058702-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (GB) 2002-08-01 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-20040063757-A1 Urotensin-ll receptor antagonists UTS2R, PLAUR, SCTR KMT2A 3369/4885POLB 4179/4885SLC2A1 3284/4885

“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.