SCHEMBL6607969

SCHEMBL6607969

COc1cc(NCCCNC(=O)C(c2ccccc2)c2ccccc2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.57
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CNR1 P21554 3/20 0.46
CNR2 P34972 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX15 P16050 1/20 0.45
GFER P55789 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6607198 0.93 SLC2A1 (0.52) SLC2A1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL5667848 0.81 SLC2A1 (0.54) SLC2A1MEN1KMT2AALOX15
SCHEMBL6619693 0.80 SLC2A1 (0.61) SLC2A1MEN1KMT2AALDH1A1ALOX15
SCHEMBL6607915 0.77 SLC2A1 (0.62) SLC2A1MEN1KMT2AALDH1A1ALOX15
SCHEMBL6607938 0.76 SLC2A1 (0.62) SLC2A1ALOX15
SCHEMBL7812693 0.76 SLC2A1 (0.61) SLC2A1ALOX15
Hydrochloric Acid SCHEMBL6607447 0.76 SLC2A1 (0.61) SLC2A1MEN1KMT2AALDH1A1ALOX15
SCHEMBL7805481 0.75 SLC2A1 (0.60) SLC2A1
SCHEMBL7805110 0.74 SLC2A1 (0.62) SLC2A1MEN1KMT2AALDH1A1ALOX15
SCHEMBL6623251 0.74 SLC2A1 (0.56) SLC2A1MEN1KMT2AALOX15

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 SLC2A1 3284/4885MTNR1A 154/4885MTNR1B 94/4885

“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.