SCHEMBL16853789

SCHEMBL16853789

CC(C)(C)OC(=O)N1CCC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C(N)=O)C(F)(F)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.44
NTRK1 P04629 1/20 0.42
PDE4B Q07343 6/20 0.38
GPR119 Q8TDV5 4/20 0.36
STS P08842 1/20 0.36
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
AAK1 Q2M2I8 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
NEK2 P51955 1/20 0.33

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
SCHEMBL23639481 0.90 USP30 (0.46) USP30PDE4BGPR119STSPDE4A
SCHEMBL17631637 0.86 USP30 (0.44) USP30GPR119
SCHEMBL17631639 0.86 USP30 (0.44) USP30GPR119
SCHEMBL19499255 0.85 NTRK1 (0.42) USP30NTRK1BACE1BACE2
SCHEMBL16853778 0.83 USP30 (0.48) USP30NTRK1PDE4BGPR119AAK1
SCHEMBL19468632 0.83 NTRK1 (0.45) USP30NTRK1PDE4BGPR119STS
SCHEMBL16853861 0.77 NTRK1 (0.68) NTRK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16611414 0.76 USP30 (0.51) USP30GPR119STSAAK1
SCHEMBL20934895 0.75 TBK1 (0.37) USP30GPR119
SCHEMBL532111 0.75 PDE4B (0.59) USP30PDE4BGPR119STSPDE4A

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-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 US disclosed
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 US disclosed
WO-2015092610-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2015-06-25 WO 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 USP30 3419/4885NTRK1 21/4885PDE4B 1607/4885

“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.