SCHEMBL3785946

SCHEMBL3785946

COCCCn1ncc2ccc(C[C@H](C[C@H](NC(=O)O)C(O)C[C@H](COCc3ccccc3)C(C)C)C(C)C)cc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
REN P00797 14/20 0.36
MCHR2 Q969V1 2/20 0.35
MCHR1 Q99705 2/20 0.35
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34

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
SCHEMBL3785943 1.00 MAPK1 (0.41) MAPK1RENMCHR2MCHR1ITGB3
SCHEMBL12053985 0.92 REN (0.40) MAPK1REN
SCHEMBL3777864 0.89 MAPK1 (0.41) MAPK1REN
SCHEMBL3786956 0.89 MAPK1 (0.41) MAPK1REN
SCHEMBL3786951 0.89 MAPK1 (0.41) MAPK1REN
SCHEMBL3777863 0.89 MAPK1 (0.41) MAPK1REN
SCHEMBL3779833 0.88 MAPK1 (0.42) MAPK1REN
SCHEMBL3779841 0.88 MAPK1 (0.42) MAPK1REN
SCHEMBL8231860 0.82 MAPK1 (0.35) MAPK1REN
SCHEMBL3777847 0.81 MAPK1 (0.37) MAPK1REN

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 MAPK1 762/4885REN 1/4885MCHR2 4269/4885

“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.