SCHEMBL20147344

SCHEMBL20147344

CC(C)N1CCC(C)(CN2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CTSK P43235 1/20 0.32
F2RL1 P55085 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
SCHEMBL20069544 0.86 CTSK (0.33) RETGRIN2BGRIN2CCTSK
SCHEMBL20147374 0.83 HRH3 (0.41) HRH3
SCHEMBL20205793 0.82 RET (0.50) RETSIGMAR1
SCHEMBL12349920 0.79 HRH3 (0.40) GRIN2BGRIN2CHRH3SIGMAR1CTSK
SCHEMBL20147320 0.77 SETD7 (0.36) RETHRH3
SCHEMBL21150506 0.76 CTSK (0.39) RETGRIN2BGRIN2CCTSKF2RL1
SCHEMBL20147386 0.75 CHRM2 (0.40) RETHRH3
SCHEMBL9937728 0.74 CTSK (0.37) GRIN2BGRIN2CCTSKF2RL1
SCHEMBL29092580 0.74 CTSK (0.35) RETGRIN2BGRIN2CCTSKF2RL1
SCHEMBL29092578 0.74 CTSK (0.35) RETGRIN2BGRIN2CCTSKF2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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 (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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885GRIN2B 1206/4885GRIN2C 1461/4885

“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.