SCHEMBL557571

SCHEMBL557571

CCCCC1C(c2ccc(-c3ccccc3CCCOC)cc2C)C(c2cccnc2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.41
KCNH2 Q12809 1/20 0.41
KDM6B O15054 6/20 0.33
KDM4C Q9H3R0 6/20 0.33
PTAFR P25105 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MCL1 Q07820 1/20 0.32
APLNR P35414 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
NAMPT P43490 1/20 0.31
DGAT2 Q96PD7 1/20 0.31

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
SCHEMBL557570 0.80 REN (0.43) RENKCNH2PTAFRAPLNR
SCHEMBL534289 0.79 REN (0.41) RENKCNH2APLNR
SCHEMBL533879 0.78 REN (0.50) RENKCNH2CYP3A4
SCHEMBL534916 0.75 REN (0.54) RENKCNH2KDM6BKDM4CMCL1
SCHEMBL10202445 0.74 REN (0.60) RENKCNH2CYP3A4
SCHEMBL535102 0.73 REN (0.36) RENKCNH2KDM4CCRHBPCRHR2
SCHEMBL556315 0.73 REN (0.40) RENKCNH2MCL1MEN1CYP3A4
SCHEMBL555467 0.69 REN (0.61) RENKCNH2KDM6BKDM4CCYP3A4
SCHEMBL556668 0.69 LIPE (0.36) RENKCNH2CYP3A4
SCHEMBL556728 0.69 REN (0.63) RENKCNH2KDM6BKDM4CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KCNH2 1198/4885KDM6B 3264/4885

“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.