SCHEMBL3508043

SCHEMBL3508043

CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(NC(=O)CBr)cc3)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN6 P29350 1/20 0.55
GPR119 Q8TDV5 9/20 0.49
USP30 Q70CQ3 2/20 0.47
CETP P11597 2/20 0.45
PIK3CD O00329 1/20 0.44
WNT3A P56704 2/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43

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
SCHEMBL2537570 0.82 GPR119 (0.56) PTPN2PTPN1PTPN6GPR119USP30
SCHEMBL2774787 0.82 USP30 (0.60) PTPN2PTPN1PTPN6GPR119USP30
SCHEMBL2540012 0.79 GPR119 (0.64) PTPN2PTPN1PTPN6GPR119CETP
SCHEMBL2538047 0.77 GPR119 (0.53) GPR119PIK3CD
SCHEMBL14191514 0.77 PTPN2 (0.57) PTPN2PTPN1PTPN6GPR119USP30
SCHEMBL19147635 0.76 GPR119 (0.53) PTPN2PTPN1PTPN6GPR119
SCHEMBL14191511 0.76 PTPN2 (0.56) PTPN2PTPN1PTPN6GPR119USP30
SCHEMBL2774614 0.76 GPR119 (0.59) GPR119USP30
SCHEMBL2534569 0.76 GPR119 (0.58) GPR119
SCHEMBL2774875 0.75 GPR119 (0.51) GPR119PIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 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 (2 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 PTPN2 1638/4885PTPN1 1389/4885PTPN6 1697/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 PTPN2 1881/4885PTPN1 1609/4885PTPN6 1760/4885

“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.