SCHEMBL20153167

SCHEMBL20153167

CC(S)N1CC2CC(C1)N2Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
GRM2 Q14416 1/20 0.42
LIPE Q05469 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
TEAD1 P28347 1/20 0.38
RET P07949 1/20 0.38
HCRTR1 O43613 11/20 0.38
HCRTR2 O43614 11/20 0.38
CYP3A4 P08684 3/20 0.38

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
SCHEMBL20069805 0.90 ALDH1A1 (0.47) ALDH1A1TSHRGRM2LIPEBCHE
SCHEMBL21159096 0.82 HCRTR1 (0.43) RETHCRTR1HCRTR2
SCHEMBL22030855 0.81 TSHR (0.62) ALDH1A1TSHRGRM2BCHEACHE
SCHEMBL20160453 0.80 ALDH1A1 (0.44) ALDH1A1TSHRGRM2BCHEACHE
SCHEMBL20154554 0.76 RET (0.40) RET
SCHEMBL21158871 0.73 CYP11B1 (0.38) RET
SCHEMBL20069809 0.73 ALDH1A1 (0.48) ALDH1A1
SCHEMBL23555159 0.73 SIGMAR1 (0.48) ALDH1A1RETHCRTR1HCRTR2
SCHEMBL20148609 0.73 HCRTR1 (0.40) ALDH1A1RETHCRTR1HCRTR2
SCHEMBL29712698 0.73 ALDH1A1 (0.50) ALDH1A1TSHRGRM2BCHEACHE

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-20180133200-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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ALDH1A1 2868/4885TSHR 1461/4885GRM2 1263/4885

“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.