SCHEMBL19499255

SCHEMBL19499255

CN1CCC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C(N)=O)C(F)(F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.42
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
F2 P00734 2/20 0.33
F11 P03951 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
BACE1 P56817 3/20 0.32
ERBB2 P04626 4/20 0.32
EGFR P00533 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
HIF1A Q16665 1/20 0.31
KCNH2 Q12809 2/20 0.31
NTRK3 Q16288 2/20 0.31
NTRK2 Q16620 2/20 0.31
SSTR4 P31391 1/20 0.30
USP30 Q70CQ3 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL16853789 0.85 USP30 (0.44) NTRK1BACE1USP30BACE2
SCHEMBL19499256 0.81 KCNH2 (0.36) NTRK1ROCK2ROCK1F2F11
SCHEMBL16828757 0.77 SCN1A (0.43) KCNH2
SCHEMBL17042803 0.75 CSF1R (0.44) F2F11PRSS1PRSS2PRSS3
SCHEMBL19499244 0.75 NTRK1 (0.67) NTRK1ERBB2TBK1KCNH2NTRK3
SCHEMBL19468721 0.74 KCNH2 (0.40) NTRK1ROCK2ROCK1F2F11
SCHEMBL23639481 0.73 USP30 (0.46) BACE1USP30BACE2
SCHEMBL17630886 0.73 TBK1 (0.49) TBK1
SCHEMBL17631431 0.73 TBK1 (0.49) TBK1
SCHEMBL22290897 0.72 LIPG (0.42) ROCK1BACE1SSTR4

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-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 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-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS TNNI3, MUSK, MYLK2 NTRK1 21/4885ROCK2 770/4885ROCK1 872/4885

“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.