SCHEMBL3779728

SCHEMBL3779728

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
KMO O15229 5/20 0.39
REN P00797 11/20 0.39
MCHR1 Q99705 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
SCHEMBL3779724 1.00 MAPK1 (0.44) MAPK1KMORENMCHR1
SCHEMBL12053933 0.89 MAPK1 (0.40) MAPK1KMOREN
SCHEMBL3777864 0.88 MAPK1 (0.41) MAPK1KMOREN
SCHEMBL3777863 0.88 MAPK1 (0.41) MAPK1KMOREN
SCHEMBL3786951 0.88 MAPK1 (0.41) MAPK1KMOREN
SCHEMBL3786956 0.88 MAPK1 (0.41) MAPK1KMOREN
SCHEMBL3785638 0.87 MAPK1 (0.46) MAPK1KMORENMCHR1
SCHEMBL3785641 0.87 MAPK1 (0.46) MAPK1KMORENMCHR1
SCHEMBL3785643 0.87 MAPK1 (0.46) MAPK1KMORENMCHR1
SCHEMBL3775264 0.85 MAPK1 (0.41) MAPK1KMORENMCHR1

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 762/4885KMO 3120/4885REN 1/4885

“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.