SCHEMBL13619706

SCHEMBL13619706

COC(=O)c1cncn1NCCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
CYP11B1 P15538 5/20 0.42
CYP11B2 P19099 5/20 0.42
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCB11 O95342 1/20 0.35
GABRA2 P47869 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ATM Q13315 1/20 0.33
QPCT Q16769 1/20 0.33
HTR7 P34969 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
SCHEMBL14338094 0.73 NPSR1 (0.40) NPSR1GAACYP1A2CYP3A4LMNA
SCHEMBL24731153 0.71 CYP11B1 (0.50) MAPK1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL25402262 0.71 CYP11B1 (0.50) MAPK1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL24731076 0.71 CYP11B1 (0.50) MAPK1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL3768618 0.70 CYP11B1 (0.39) CYP11B1CYP11B2NPSR1GAALMNA
SCHEMBL7424605 0.70 CYP11B1 (0.59) MAPK1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL11387344 0.70 MAPK1 (0.64) MAPK1CYP11B1CYP11B2GAACYP1A2
Hydrochloric Acid SCHEMBL34469274 0.70 CYP11B1 (0.49) MAPK1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL18185717 0.69 CYP11B1 (0.55) MAPK1CYP11B1CYP11B2ALDH1A1ATM
SCHEMBL31332952 0.69 CYP11B1 (0.55) MAPK1CYP11B1CYP11B2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF MAPK1 1034/4885CYP11B1 2908/4885CYP11B2 3412/4885

“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.