SCHEMBL16853568

SCHEMBL16853568

CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(Br)cc2C#N)[C@@H](F)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 16/20 0.52
IKBKE Q14164 1/20 0.52
USP30 Q70CQ3 1/20 0.44
JAK2 O60674 5/20 0.44
GPR119 Q8TDV5 2/20 0.43
PDE4B Q07343 1/20 0.41

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
SCHEMBL17630550 1.00 TBK1 (0.52) TBK1IKBKEUSP30JAK2GPR119
SCHEMBL16853884 1.00 TBK1 (0.52) TBK1IKBKEUSP30JAK2GPR119
SCHEMBL17631334 1.00 TBK1 (0.52) TBK1IKBKEUSP30JAK2GPR119
SCHEMBL18348317 0.86 TBK1 (0.52) TBK1IKBKEUSP30GPR119PDE4B
SCHEMBL16828572 0.86 TBK1 (0.44) TBK1JAK2
SCHEMBL16828738 0.86 TBK1 (0.44) TBK1JAK2
SCHEMBL1667168 0.84 GPR119 (0.55) TBK1IKBKEGPR119PDE4B
SCHEMBL17645231 0.84 TBK1 (0.42) TBK1IKBKEUSP30JAK2GPR119
SCHEMBL17631219 0.84 GPR119 (0.43) TBK1IKBKEUSP30GPR119
SCHEMBL17631222 0.84 GPR119 (0.43) TBK1IKBKEUSP30GPR119

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 4 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
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 TBK1 1795/4885IKBKE 667/4885USP30 3419/4885

“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.