SCHEMBL6618355

SCHEMBL6618355

COc1cc(NCC(CNCc2cn(Cc3ccccc3)c3ccccc23)c2ccccc2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
HTR2C P28335 1/20 0.41
CHRNB2 P17787 5/20 0.39
CHRNA7 P36544 5/20 0.39
CHRNA4 P43681 5/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G2A P14555 1/20 0.37
HTR6 P50406 1/20 0.37
P2RX7 Q99572 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6621905 1.00 SLC2A1 (0.49) SLC2A1HTR2CCHRNB2CHRNA7CHRNA4
SCHEMBL6624636 1.00 SLC2A1 (0.49) SLC2A1HTR2CCHRNB2CHRNA7CHRNA4
SCHEMBL6621339 0.90 SLC2A1 (0.51) SLC2A1HTR2CCHRNB2CHRNA7CHRNA4
SCHEMBL6619597 0.88 SLC2A1 (0.49) SLC2A1HTR2CCHRNB2CHRNA7CHRNA4
SCHEMBL6620231 0.86 SLC2A1 (0.48) SLC2A1HTR2CCHRNB2CHRNA7CHRNA4
SCHEMBL6619627 0.86 SLC2A1 (0.48) SLC2A1HTR2CCHRNB2CHRNA7CHRNA4
SCHEMBL6623020 0.86 SLC2A1 (0.48) SLC2A1HTR2CCHRNB2CHRNA7CHRNA4
SCHEMBL6618765 0.84 SLC2A1 (0.45) SLC2A1HTR2CCHRNB2CHRNA7CHRNA4
SCHEMBL6618497 0.82 SLC2A1 (0.46) SLC2A1HTR2CCHRNB2CHRNA7CHRNA4
SCHEMBL6620299 0.81 CHRNB2 (0.44) SLC2A1CHRNB2CHRNA7CHRNA4KMT2A

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 SLC2A1 3284/4885HTR2C 437/4885CHRNB2 569/4885

“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.