SCHEMBL3489548

SCHEMBL3489548

CC(C)(C)OC(=O)NC1(c2nc3cc(F)c(F)cc3[nH]2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.38
ACACB O00763 5/20 0.38
GPR119 Q8TDV5 2/20 0.38
TBK1 Q9UHD2 2/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL3489950 0.89 BACE1 (0.44) NAMPTTBK1JAK2JAK1HDAC1
SCHEMBL3490328 0.85 BACE1 (0.44) NAMPTACACBTBK1HRH4
SCHEMBL3489912 0.85 JAK2 (0.40) ACACBGPR119JAK2JAK1HDAC1
SCHEMBL3491957 0.85 SSTR4 (0.45) NAMPTTBK1HRH4HRH3
SCHEMBL3490376 0.84 BCHE (0.45) NAMPTGPR119PARP1
SCHEMBL3491078 0.84 STS (0.42) NAMPT
SCHEMBL3489659 0.83 JAK2 (0.38) NAMPTACACBGPR119JAK2JAK1
SCHEMBL3489463 0.83 JAK2 (0.40) ACACBGPR119JAK2JAK1HDAC1
SCHEMBL3489471 0.82 NAMPT (0.49) NAMPTACACBGPR119JAK2JAK1
SCHEMBL3492797 0.81 ALDH1A1 (0.41) NAMPTJAK2JAK1

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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A NAMPT 3492/4885ACACB 4634/4885GPR119 546/4885

“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.