SCHEMBL8256241

SCHEMBL8256241

CC(C)C[C@H](N[C@@H](Cc1ccn(-c2ccccc2)n1)C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
NPSR1 Q6W5P4 5/20 0.42
POLB P06746 4/20 0.42
ATM Q13315 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
REN P00797 2/20 0.41
MAPK1 P28482 4/20 0.40
KMT2A Q03164 3/20 0.40
CASR P41180 1/20 0.40
RECQL P46063 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPR3 P17342 1/20 0.39
NTSR1 P30989 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL5869918 0.88 CASR (0.47) MAPTCASRNTSR1HDAC3HDAC1
SCHEMBL8248816 0.80 ACE2 (0.41) POLBMAPK1KMT2ACASRALDH1A1
SCHEMBL5870466 0.80 ACE2 (0.41) POLBMAPK1KMT2ACASRALDH1A1
SCHEMBL7326560 0.79 REN (0.57) MAPTNPSR1POLBATMTDP1
SCHEMBL9442931 0.79 REN (0.57) MAPTNPSR1POLBATMTDP1
SCHEMBL9442952 0.79 REN (0.57) MAPTNPSR1POLBATMTDP1
SCHEMBL9443008 0.73 REN (0.58) MAPTNPSR1POLBATMTDP1
SCHEMBL7380187 0.73 REN (0.58) MAPTNPSR1POLBATMTDP1
SCHEMBL7380184 0.73 REN (0.58) MAPTNPSR1POLBATMTDP1
SCHEMBL5869692 0.72 MAPT (0.46) MAPTNPSR1POLBTDP1MAPK1

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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 MAPT 2548/4885NPSR1 363/4885POLB 3205/4885

“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.