SCHEMBL8437490

SCHEMBL8437490

CCCCOC(=O)[C@H](CC(C)C)N[C@@H](Cc1cc[nH]n1)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.42
TAS1R1 Q7RTX1 9/20 0.42
ANPEP P15144 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ELANE P08246 3/20 0.35
BIRC2 Q13490 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALPG P10696 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
CASP1 P29466 1/20 0.34

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
SCHEMBL5869581 0.81 ANPEP (0.48) ANPEPNPSR1BIRC2ALDH1A1
SCHEMBL8256405 0.81 ANPEP (0.48) ANPEPNPSR1BIRC2ALDH1A1
SCHEMBL8431357 0.81 TAS1R3 (0.42) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL8437201 0.80 IL1RN (0.50) TAS1R3TAS1R1ANPEPSMN1; SMN2NPSR1
SCHEMBL8437493 0.74 ACE2 (0.40) TAS1R3TAS1R1ANPEPSMN1; SMN2
SCHEMBL8256593 0.74 P2RY12 (0.45) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL8429973 0.74 P2RY12 (0.45) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL8440620 0.73 FOLH1 (0.48) TAS1R3TAS1R1NPC1RAB9AHPGD
SCHEMBL8437797 0.70 ACE2 (0.44) TAS1R3TAS1R1ANPEPL3MBTL1ALDH1A1
SCHEMBL8255240 0.70 P2RY12 (0.44) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1

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-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 TAS1R3 4635/4885TAS1R1 4625/4885ANPEP 118/4885

“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.