SCHEMBL741432

SCHEMBL741432

CC1(c2ccccc2)COCC(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
MGAT2 Q10469 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
HTT P42858 1/20 0.35
CACNA1F O60840 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
SCN1A P35498 1/20 0.34
SCN4A P35499 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
CACNA1D Q01668 1/20 0.34

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
SCHEMBL25331017 0.83 MGAT2 (0.40) BACE1MGAT2
SCHEMBL1173469 0.82 CHRNA1 (0.42) BACE1MGAT2MAPTALDH1A1HTT
SCHEMBL11894554 0.82 HCAR3 (0.39) BACE1
SCHEMBL362252 0.82 CHRNA1 (0.42) BACE1MGAT2MAPTALDH1A1HTT
SCHEMBL6922832 0.82 BACE1 (0.35) BACE1KCNH2
SCHEMBL1173493 0.82 CHRNA1 (0.42) BACE1MGAT2MAPTALDH1A1HTT
SCHEMBL1173213 0.82 BACE1 (0.35) BACE1KCNH2
SCHEMBL1173211 0.82 BACE1 (0.35) BACE1KCNH2
SCHEMBL11894553 0.82 HCAR3 (0.39) BACE1
SCHEMBL730344 0.81 LMNA (0.40) MAPTKDM4EALDH1A1LMNACHRNB2

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-8138176-B2 Imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20110092492-A1 IMIDAZO COMPOUNDS HEROLD PETER 2011-04-21 US disclosed
US-7879847-B2 such as 4-(5,6-Dihydro-8H-imidazo[5,1-c][1,4]oxazin-5-yl)benzonitrile, having aldosterone synthase and/or 11- beta -hydroxylase inhibitory activity, used for the treatment of hypertension and Cushing's Syndrome NOVARTIS AG (CH) 2011-02-01 US disclosed
US-20090192144-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 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-20090192144-A1 Imidazo Compounds REN, CYP11B2, CYP11B1 BACE1 2045/4885MGAT2 1335/4885MMP2 1814/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 BACE1 2097/4885MGAT2 1657/4885MMP2 1706/4885

“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.