SCHEMBL7797531

SCHEMBL7797531

CCCCCC1Cc2cc(N)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.45
SIRT2 Q8IXJ6 7/20 0.42
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
S1PR1 P21453 3/20 0.37
SGPL1 O95470 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL25427665 0.86 S1PR1 (0.48) GRM2S1PR1SGPL1S1PR3
SCHEMBL5536727 0.82 GRM2 (0.44) GRM2SIRT2HRH4HRH3
SCHEMBL5536723 0.82 SIRT2 (0.45) GRM2SIRT2HRH4HRH3S1PR1
SCHEMBL8026316 0.81 HRH3 (0.38) HRH4HRH3
SCHEMBL8690822 0.81 SIRT2 (0.46) GRM2SIRT2S1PR1SGPL1S1PR3
SCHEMBL5537744 0.81 SIRT2 (0.44) GRM2SIRT2S1PR1SGPL1S1PR3
SCHEMBL5537748 0.81 GRM2 (0.46) GRM2SIRT2HRH4HRH3
SCHEMBL2059453 0.78 GRM2 (0.44) GRM2SIRT2HRH3
SCHEMBL8688839 0.78 LPL (0.40) GRM2SIRT2S1PR1SGPL1S1PR3
SCHEMBL20958651 0.78 AKR1B1 (0.41) GRM2SIRT2HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL GRM2 913/4885SIRT2 2524/4885HRH4 499/4885

“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.