SCHEMBL16853577

SCHEMBL16853577

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.45
NTRK1 P04629 4/20 0.45
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
PDE4B Q07343 2/20 0.44
USP30 Q70CQ3 2/20 0.43
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
DPP4 P27487 1/20 0.40
PARP1 P09874 1/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
FPR2 P25090 1/20 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
SCHEMBL16853782 1.00 KCNH2 (0.45) KCNH2NTRK1NTRK3NTRK2PDE4B
SCHEMBL19468677 1.00 KCNH2 (0.45) KCNH2NTRK1NTRK3NTRK2PDE4B
SCHEMBL16828741 0.86 KCNH2 (0.43) KCNH2NTRK1NTRK3NTRK2DPP4
SCHEMBL19468583 0.86 KCNH2 (0.43) KCNH2NTRK1NTRK3NTRK2DPP4
SCHEMBL16828815 0.86 KCNH2 (0.43) KCNH2NTRK1NTRK3NTRK2DPP4
SCHEMBL16853447 0.85 KCNH2 (0.43) KCNH2NTRK1NTRK3NTRK2PDE4B
SCHEMBL16853446 0.85 KCNH2 (0.43) KCNH2NTRK1NTRK3NTRK2PDE4B
SCHEMBL17631334 0.83 TBK1 (0.52) PDE4BUSP30IKBKETBK1GPR119
SCHEMBL16853568 0.83 TBK1 (0.52) PDE4BUSP30IKBKETBK1GPR119
SCHEMBL17630550 0.83 TBK1 (0.52) PDE4BUSP30IKBKETBK1GPR119

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 KCNH2 1614/4885NTRK1 21/4885NTRK3 27/4885

“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.