SCHEMBL7796043

SCHEMBL7796043

NCCCCCc1cc2ccccc2o1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
AGXT P21549 1/20 0.53
DRD2 P14416 4/20 0.45
DRD3 P35462 3/20 0.45
DRD1 P21728 2/20 0.45
HTR2B P41595 4/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA2 P00918 1/20 0.42
HTR1A P08908 1/20 0.42
DRD5 P21918 1/20 0.41
MAOA P21397 1/20 0.41
CYP19A1 P11511 1/20 0.41
FLT3 P36888 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLS O94925 1/20 0.40

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
SCHEMBL9826461 0.98 LOXL2 (0.65) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL5776752 0.93 LOXL2 (0.67) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL140395 0.85 LOXL2 (0.71) LOXL2AGXTDRD2DRD3DRD1
Iodide SCHEMBL28674174 0.84 LOXL2 (0.69) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL10000911 0.83 MAPT (0.63) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL8688187 0.83 MAPT (0.63) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL2088773 0.83 LOXL2 (0.53) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL19813189 0.83 MAPT (0.63) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL11243675 0.83 MAPT (0.63) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL2090531 0.81 LOXL2 (0.55) LOXL2AGXTDRD2DRD3DRD1

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-1997024119-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

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 LOXL2 1223/4885AGXT 3873/4885DRD2 3420/4885

“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.