SCHEMBL557049

SCHEMBL557049

CC(C)(C)C1[C@H](c2ccc(Br)cc2Cl)[C@@H](c2cccnc2)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
SPR P35270 1/20 0.34
REN P00797 1/20 0.34
KCNH2 Q12809 1/20 0.34
BLM P54132 1/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPBAR1 Q8TDU6 2/20 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
SCHEMBL556728 0.78 REN (0.63) RENKCNH2
SCHEMBL534498 0.77 SPR (0.43) KDM4EMEN1KMT2AMAPK1HTT
SCHEMBL6043785 0.77 KDM4E (0.41) KDM4EMEN1KMT2ABLMALOX15
SCHEMBL557048 0.74 GPR119 (0.46) FNTAFNTBKDM4EMEN1KMT2A
SCHEMBL534491 0.69 SPR (0.37) KDM4EMAPK1HTTCACNA1GCACNA1H
SCHEMBL29182906 0.67 CHRNB2 (0.40) KDM4EMEN1KMT2AMAPK1HTT
SCHEMBL533991 0.66 REN (0.54) KDM4EMEN1KMT2AMAPK1HTT
SCHEMBL828989 0.64 SLC6A3 (0.42) KCNH2RIPK1
SCHEMBL2242113 0.64 RIPK1 (0.48) HTTPOLBRIPK1
SCHEMBL829825 0.64 NOTUM (0.39) CACNA1IKCNH2RIPK1

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 FNTA 940/4885FNTB 2274/4885KDM4E 2653/4885

“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.