SCHEMBL2536876

SCHEMBL2536876

CC(C)(C)OC(=O)N1CCC(Oc2ncc(Br)cn2)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.57
PIK3CD O00329 13/20 0.53
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
GPR119 Q8TDV5 3/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46

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
SCHEMBL31108144 1.00 HMOX1 (0.57) HMOX1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31108147 1.00 HMOX1 (0.57) HMOX1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2538047 0.93 GPR119 (0.53) HMOX1PIK3CDGPR119
SCHEMBL29161278 0.90 HMOX1 (0.47) HMOX1PIK3CDGPR119IDO1TDO2
SCHEMBL23842628 0.88 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL7900769 0.86 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL4102372 0.86 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL22055497 0.86 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL595470 0.84 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL595469 0.84 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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 HMOX1 682/4885PIK3CD 2569/4885PIK3CA 2441/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HMOX1 367/4885PIK3CD 3300/4885PIK3CA 2979/4885

“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.