SCHEMBL9924348

SCHEMBL9924348

C=C1CCc2c(cccc2C(C)(C)C)N1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DHPS P49366 1/20 0.30

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
SCHEMBL27418880 0.87 CA2 (0.41) CA2GABRA1GABRB2KIF11ALDH1A1
SCHEMBL25696263 0.84 CA2 (0.36) CA2GABRA1GABRB2KIF11ALDH1A1
SCHEMBL9910072 0.79 NPC1 (0.46) KIF11DHPS
SCHEMBL20777508 0.74 HTR1A (0.33) CA2
SCHEMBL13779510 0.73 NOTUM (0.40) CA2GABRA1GABRB2KIF11ALDH1A1
SCHEMBL17487247 0.72
SCHEMBL9910074 0.70 GRIA1 (0.38) CA2GABRA1GABRB2KIF11ALDH1A1
SCHEMBL13801874 0.70 DHPS (0.51) DHPS
SCHEMBL15469366 0.70 CA2 (0.33) CA2GABRA1GABRB2KIF11ALDH1A1
SCHEMBL28955940 0.69 NPC1 (0.43) CA2KIF11ALDH1A1TSHRTDP1

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-8212041-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-03 US disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US 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 (2 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-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET CA2 3345/4885GABRA1 2292/4885GABRB2 2000/4885
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET CA2 4098/4885GABRA1 2537/4885GABRB2 2418/4885

“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.