SCHEMBL5869967

SCHEMBL5869967

COC(=O)C(Cc1ccn(Cc2ccccc2)n1)NC(CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.45
CTSK P43235 3/20 0.41
HDAC1 Q13547 2/20 0.41
S1PR4 O95977 2/20 0.41
S1PR1 P21453 1/20 0.41
CAPN1 P07384 1/20 0.41
BIRC2 Q13490 1/20 0.40
MAPT P10636 1/20 0.40
MME P08473 1/20 0.40
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL8249832 0.94 ACE2 (0.42) ANPEPCTSKHDAC1S1PR4S1PR1
SCHEMBL7480048 0.87 ANPEP (0.45) ANPEPCTSKS1PR4S1PR1CAPN1
SCHEMBL5869448 0.83 HDAC1 (0.46) HDAC1MME
SCHEMBL5869400 0.83 HDAC1 (0.46) HDAC1MME
SCHEMBL8250258 0.83 HDAC1 (0.46) HDAC1MME
SCHEMBL5869393 0.83 HDAC1 (0.46) HDAC1MME
SCHEMBL5870075 0.83 HDAC1 (0.46) HDAC1MME
SCHEMBL8256336 0.82 MAPT (0.46) ANPEPCTSKMAPT
SCHEMBL5869692 0.82 MAPT (0.46) ANPEPCTSKMAPT
SCHEMBL5869581 0.81 ANPEP (0.48) ANPEPCTSKS1PR4S1PR1CAPN1

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
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO 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 ANPEP 118/4885CTSK 541/4885HDAC1 236/4885

“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.