SCHEMBL6619967

SCHEMBL6619967

COc1cc(NCCCNCc2c[nH]c3ccccc23)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 3/20 0.50
GAA P10253 1/20 0.49
SLC2A1 P11166 2/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MC5R P33032 2/20 0.47
MC3R P41968 2/20 0.47
HTR1A P08908 3/20 0.47
MAPK1 P28482 3/20 0.46
HTR6 P50406 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
HTR5A P47898 1/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
BCHE P06276 2/20 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
SCHEMBL5943519 0.84 MCHR1 (0.59) MC1RKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL6620928 0.82 SLC2A1 (0.50) GAASLC2A1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5943493 0.81 MC1R (0.56) MC1RSLC2A1KMT2AMEN1SMN1; SMN2
SCHEMBL6618769 0.77 SLC2A1 (0.47) SLC2A1KMT2AMEN1KDM4EHTR1A
SCHEMBL6619693 0.76 SLC2A1 (0.61) GAASLC2A1KMT2AMEN1SMN1; SMN2
SCHEMBL6618765 0.76 SLC2A1 (0.45) SLC2A1SMN1; SMN2HTR6BCHEACHE
SCHEMBL6607915 0.75 SLC2A1 (0.62) GAASLC2A1KMT2AMEN1SMN1; SMN2
SCHEMBL6622297 0.75 SLC2A1 (0.50) SLC2A1BCHEACHE
SCHEMBL6782546 0.75 SLC2A1 (0.45) GAASLC2A1KMT2AMEN1SMN1; SMN2
SCHEMBL6621120 0.75 SLC2A1 (0.48) SLC2A1BCHEACHE

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 7 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
US-20040063757-A1 Urotensin-ll receptor antagonists SMITHKLINEE BEECHAM CORPORATION 2004-04-01 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-20040063757-A1 Urotensin-ll receptor antagonists UTS2R, PLAUR, SCTR MC1R 125/4885GAA 833/4885SLC2A1 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.