SCHEMBL8250258

SCHEMBL8250258

CC(C)CC(N[C@@H](Cc1ccn(Cc2ccccc2)n1)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.46
ACE2 Q9BYF1 4/20 0.45
ACE P12821 4/20 0.45
MME P08473 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
LTA4H P09960 1/20 0.43
HDAC7 Q8WUI4 3/20 0.43

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
SCHEMBL5869400 1.00 HDAC1 (0.46) HDAC1ACE2ACEMMEHDAC3
SCHEMBL5869448 1.00 HDAC1 (0.46) HDAC1ACE2ACEMMEHDAC3
SCHEMBL5869393 1.00 HDAC1 (0.46) HDAC1ACE2ACEMMEHDAC3
SCHEMBL5870075 1.00 HDAC1 (0.46) HDAC1ACE2ACEMMEHDAC3
SCHEMBL5869464 0.89 ACE2 (0.59) HDAC1ACE2ACEHDAC3HDAC4
SCHEMBL5869795 0.89 ACE2 (0.59) HDAC1ACE2ACEHDAC3HDAC4
SCHEMBL5869967 0.83 ANPEP (0.45) HDAC1MME
SCHEMBL5869918 0.81 CASR (0.47) HDAC1ACE2ACEHDAC3HDAC2
SCHEMBL1690989 0.79 ACE (0.47) ACE2ACEMMELTA4H
SCHEMBL5870099 0.78 TRHDE (0.61) ACE2ACEMMELTA4H

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 HDAC1 236/4885ACE2 2/4885ACE 1/4885

“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.