SCHEMBL20489665

SCHEMBL20489665

N#CC1(c2ccc(N)nc2)CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIK3CD O00329 3/20 0.35
LRRK2 Q5S007 1/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
PIK3R1 P27986 1/20 0.35
MAP3K12 Q12852 2/20 0.33
OPRM1 P35372 3/20 0.33
ALOX5AP P20292 1/20 0.32
AADAT Q8N5Z0 1/20 0.32

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
SCHEMBL16702524 0.89 MAP4K4 (0.41) MAP4K4PIK3CDOPRM1
SCHEMBL30058591 0.89 MAP4K4 (0.41) MAP4K4PIK3CDOPRM1
SCHEMBL20489483 0.85 MAP4K4 (0.45) MAP4K4PIK3CDMAP3K12OPRM1ALOX5AP
SCHEMBL23163921 0.81 PIK3CD (0.38) CYP11B2MAP4K4PIK3CDLRRK2MAP3K12
SCHEMBL5309575 0.81 OPRM1 (0.38) CYP11B2MAP4K4PIK3CDLRRK2MAP3K12
SCHEMBL16464077 0.81 VNN1 (0.40) CYP11B2PIK3CDLRRK2MAP3K12OPRM1
SCHEMBL12077769 0.80 ALOX5AP (0.41) CYP11B2MAP4K4PIK3CDPIK3CAMTOR
SCHEMBL3903587 0.78 OPRM1 (0.40) MAP4K4OPRM1
SCHEMBL11993801 0.78 MAP4K4 (0.48) CYP11B2MAP4K4PIK3CDMAP3K12ALOX5AP
SCHEMBL16463951 0.78 P2RX7 (0.42) MAP3K12

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-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
EP-3372601-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-09-12 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-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 CYP11B2 168/4885MAP4K4 678/4885PIK3CD 1963/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 CYP11B2 230/4885MAP4K4 895/4885PIK3CD 3097/4885

“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.