SCHEMBL8229457

SCHEMBL8229457

COCCCn1ncc2ccc(C[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CO3)C(C)C)cc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.40
MAPK1 P28482 2/20 0.38
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
KMO O15229 1/20 0.32
MCHR1 Q99705 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL3784715 0.90 REN (0.44) RENMAPK1KMOMCHR1
SCHEMBL3784719 0.90 REN (0.44) RENMAPK1KMOMCHR1
SCHEMBL3784726 0.90 REN (0.44) RENMAPK1KMOMCHR1
SCHEMBL8224074 0.90 REN (0.36) RENMAPK1ITGA4ITGB7MCHR1
SCHEMBL12053933 0.85 MAPK1 (0.40) RENMAPK1ITGA4ITGB7KMO
SCHEMBL3779683 0.85 ITGA4 (0.43) RENMAPK1ITGA4ITGB7KMO
SCHEMBL8223918 0.85 MAPK1 (0.41) RENMAPK1ITGA4ITGB7KMO
SCHEMBL12053935 0.83 MAPK1 (0.38) RENMAPK1ITGA4ITGB7KMO
SCHEMBL12053964 0.83 MAPK1 (0.38) RENMAPK1
SCHEMBL12053981 0.82 MAPK1 (0.38) RENMAPK1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084485-B2 6-(aminoalkyl)indazoles VITAE PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
US-20100331287-A1 6-(Aminoalkyl)Indazoles VITAE PHARMACEUTICALS, INC. 2010-12-30 US disclosed
WO-2007120523-A2 6-(AMINOALKYL)INDAZOLES VITAE PHARMACEUTICALS, INC. (US) 2007-10-25 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-20100331287-A1 6-(Aminoalkyl)Indazoles REN, AGTR1, AGTR2 REN 1/4885MAPK1 762/4885ITGA4 3823/4885

“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.