SCHEMBL9255482

SCHEMBL9255482

CC(C)N1CC2CCCCN2C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
BRCA1 P38398 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
GRM5 P41594 2/20 0.35
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL10129317 0.94 NOS1 (0.36) HSD11B1MAPTATMALDH1A1MCOLN3
SCHEMBL26141151 0.81 MAPK1 (0.38) HSD11B1MAPK1
SCHEMBL23714591 0.79 NPY5R (0.38) HSD11B1MAPK1
SCHEMBL26141149 0.79 NPY5R (0.40) HSD11B1KMT2AALDH1A1MAPK1
SCHEMBL18705194 0.76 HRH3 (0.34) MAPT
SCHEMBL22875404 0.76 OPRM1 (0.32) MAPT
SCHEMBL26141150 0.75 NPY5R (0.44) HSD11B1MAPTALDH1A1
SCHEMBL9260600 0.75 GRM5 (0.40) MEN1KMT2AL3MBTL1MAPTBRCA1
SCHEMBL19766488 0.74 KMT2A (0.33) HSD11B1MEN1KMT2AL3MBTL1MAPT
SCHEMBL17062310 0.74 HTR2C (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083383-A1 Novel 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
US-9233978-B2 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-01-12 US disclosed
US-20150252057-A1 Novel 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-09-10 US disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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 (3 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-20150252057-A1 Novel 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, CYP2B6, CYP2D6 HSD11B1 1647/4885MEN1 3525/4885KMT2A 1892/4885
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP HSD11B1 702/4885MEN1 4518/4885KMT2A 1883/4885
US-20160083383-A1 Novel 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, CYP2B6, CYP2D6 HSD11B1 1647/4885MEN1 3525/4885KMT2A 1892/4885

“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.