SCHEMBL890254

SCHEMBL890254

C/C=C/c1ccc(C(C)C)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CNR2 P34972 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
PTGS2 P35354 1/20 0.32
ATM Q13315 1/20 0.32
CHRNA7 P36544 1/20 0.31
POLB P06746 1/20 0.31
TYR P14679 1/20 0.31
MAPT P10636 2/20 0.30
HTT P42858 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12810043 0.85 PTGS2 (0.38) LMNACYP3A4ALDH1A1TP53TSHR
SCHEMBL10140600 0.82 P4HTM (0.33) CYP3A4TP53KDM4EESR1ESR2
SCHEMBL889328 0.82 TUBB4A (0.33) ESR1ESR2CHRNA7MAPTTUBB4A
SCHEMBL12842147 0.81 CHRNB2 (0.34) ESR1ESR2CHRNA7
SCHEMBL19116260 0.81 GRM5 (0.49) LMNACYP3A4ALDH1A1TP53KDM4E
SCHEMBL3231297 0.78 ALDH1A1 (0.40) LMNAALDH1A1TSHRESR1ESR2
SCHEMBL2555492 0.78 TYR (0.48) LMNAALDH1A1KDM4ECHRNA7TYR
SCHEMBL30453932 0.78 TYR (0.48) LMNAALDH1A1KDM4ECHRNA7TYR
SCHEMBL13881346 0.77 GLA (0.46) LMNAALDH1A1KDM4EESR1POLB
SCHEMBL19116012 0.77 APP (0.49) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883779-B2 Oxazine derivatives and a pharmaceutical composition for inhibiting BACE1 containing them SHINOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-20140051691-A1 OXAZINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM SHIONOGI & CO., LTD. (JP) 2014-02-20 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 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 (5 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 LMNA 4280/4885CYP3A4 1315/4885ALDH1A1 3505/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 LMNA 2800/4885CYP3A4 204/4885ALDH1A1 365/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 LMNA 3604/4885CYP3A4 1478/4885ALDH1A1 4132/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 LMNA 2791/4885CYP3A4 241/4885ALDH1A1 354/4885
US-20140051691-A1 OXAZINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM BACE1, BACE2, APP LMNA 1686/4885CYP3A4 1239/4885ALDH1A1 3136/4885

“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.