SCHEMBL5026400

SCHEMBL5026400

CC(C)(C)C(C(=O)O)C1CCCNc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ F12 P00748 8/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ DHFR P00374 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32

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
SCHEMBL7110000 0.75 PARP3 (0.39) —
SCHEMBL19457862 0.73 F12 (0.37) F12
SCHEMBL7377538 0.71 ALDH1A1 (0.51) F12
SCHEMBL7835340 0.69 ALDH1A1 (0.33) F12
SCHEMBL28057154 0.67 CYP2D6 (0.37) SLC6A3SLC6A2SLC6A4MAPK1
SCHEMBL5467478 0.67 HTR2C (0.37) —
SCHEMBL1652868 0.67 BCHE (0.34) MAPK1F12
SCHEMBL5301574 0.67 F12 (0.41) F12
SCHEMBL6280001 0.67 F12 (0.43) F12
SCHEMBL27971723 0.67 BCHE (0.39) F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 — — US disclosed
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 — — EP disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 — — EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 — — EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 — — 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B SLC6A3 3607/4885SLC6A2 4009/4885SLC6A4 4056/4885

“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.

Send feedback