SCHEMBL6799487

SCHEMBL6799487

CCOC(=O)c1cncn1Cc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.48
CYP11B1 P15538 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
LMNA P02545 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ABCB11 O95342 1/20 0.48
GABRA2 P47869 1/20 0.48
NOD2 Q9HC29 2/20 0.47
NOD1 Q9Y239 2/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
F10 P00742 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL16380792 0.85 CYP11B1 (0.57) CYP11B2CYP11B1CYP1A2CYP3A4GABRA1
SCHEMBL7372692 0.82 CYP19A1 (0.47) CYP11B2CYP11B1CYP1A2CYP19A1PDE4A
SCHEMBL31138699 0.81 CYP11B1 (0.56) CYP11B2CYP11B1CYP1A2CYP3A4GABRA1
SCHEMBL14476466 0.80 CYP11B2 (0.54) CYP11B2CYP11B1CYP1A2CYP3A4GABRA1
SCHEMBL15652817 0.80 CYP11B1 (0.54) CYP11B2CYP11B1CYP1A2CYP3A4GABRA1
SCHEMBL31307755 0.79 CYP11B1 (0.59) CYP11B2CYP11B1NPC1SMN1; SMN2POLB
SCHEMBL6800674 0.79 SMN1; SMN2 (0.49) CYP1A2GABRA1GABRA2NOD2NOD1
SCHEMBL31307747 0.77 CYP11B1 (0.54) CYP11B2CYP11B1CYP1A2SMN1; SMN2MAPK10
SCHEMBL31307743 0.77 CYP11B1 (0.54) CYP11B2CYP11B1CYP1A2SMN1; SMN2MAPK10
SCHEMBL6801734 0.77 KDM4E (0.49) CYP1A2GABRB2LMNAGABRA2NOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2004-05-20 US disclosed
US-6630493-B1 Inhibitors of capain enzymes useful for the treatment of ischemias of the heart, the kidney or of central nervous system (e.g. \"stroke\"), inflammations, muscular dystrophy, cataracts of the eyes, Alzheimer's disease etc. BASF AKTIENGESELLSCHAFT (DE) 2003-10-07 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 (1 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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use CAPN1, CAPNS1, CAPN2 CYP11B2 1930/4885CYP11B1 1468/4885CYP1A2 2635/4885

“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.