SCHEMBL19468632

SCHEMBL19468632

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.45
PDE4B Q07343 6/20 0.41
RORC P51449 3/20 0.40
GPR119 Q8TDV5 3/20 0.40
USP30 Q70CQ3 3/20 0.39
STS P08842 1/20 0.39
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
DPP4 P27487 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL17630409 0.84 TBK1 (0.44) PDE4BRORCGPR119USP30STS
SCHEMBL17630410 0.84 TBK1 (0.44) PDE4BRORCGPR119USP30STS
SCHEMBL16853789 0.83 USP30 (0.44) NTRK1PDE4BGPR119USP30STS
SCHEMBL16828811 0.83 PDE4B (0.52) PDE4BGPR119PDE4APDE4CPDE4D
SCHEMBL17645042 0.82 TBK1 (0.43) PDE4BRORCGPR119USP30STS
SCHEMBL16853861 0.82 NTRK1 (0.68) NTRK1
SCHEMBL16853577 0.80 KCNH2 (0.45) NTRK1PDE4BGPR119USP30DPP4
SCHEMBL16853782 0.80 KCNH2 (0.45) NTRK1PDE4BGPR119USP30DPP4
SCHEMBL19468677 0.80 KCNH2 (0.45) NTRK1PDE4BGPR119USP30DPP4
SCHEMBL20934757 0.76 GPR119 (0.40) PDE4BGPR119STSPDE4APDE4C

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
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 21/4885PDE4B 1607/4885RORC 2389/4885

“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.