SCHEMBL431783

SCHEMBL431783

C[C@H]1CCN(C(=O)OC(C)(C)C)C1c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.52
GPR119 Q8TDV5 2/20 0.42
NR1H2 P55055 5/20 0.41
NR1H3 Q13133 4/20 0.41
RXRA P19793 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
HPGDS O60760 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL14068810 0.84 GPR119 (0.48) RIPK1GPR119NR1H2NR1H3RXRA
SCHEMBL451784 0.82 RIPK1 (0.47) RIPK1GPR119NR1H2NR1H3RXRA
SCHEMBL451785 0.82 RIPK1 (0.47) RIPK1GPR119NR1H2NR1H3RXRA
SCHEMBL17067869 0.81 RIPK1 (0.73) RIPK1NR1H2NR1H3
SCHEMBL469686 0.81 RIPK1 (0.73) RIPK1NR1H2NR1H3
SCHEMBL17067870 0.81 RIPK1 (0.73) RIPK1NR1H2NR1H3
SCHEMBL15185124 0.80 RIPK1 (0.49) RIPK1GPR119NR1H2NR1H3RXRA
SCHEMBL15185072 0.80 RIPK1 (0.49) RIPK1GPR119NR1H2NR1H3TP53
SCHEMBL15185129 0.80 RIPK1 (0.52) RIPK1GPR119MEN1KMT2AGRM5
SCHEMBL29116144 0.79 RIPK1 (0.54) RIPK1GPR119NR1H2NR1H3RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 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-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K RIPK1 168/4885GPR119 790/4885NR1H2 399/4885

“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.