SCHEMBL609656

SCHEMBL609656

CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
BCHE P06276 5/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
BACE1 P56817 4/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
ABCB1 P08183 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL609658 1.00 ANPEP (0.42) ANPEPERAP2BCHEOPRM1OPRD1
SCHEMBL4340160 0.89 MAOB (0.47) BCHEMEN1KMT2ARAB9AL3MBTL1
SCHEMBL5219638 0.86 ADRB3 (0.43) ANPEPERAP2BCHEOPRM1OPRD1
SCHEMBL5219646 0.86 ADRB3 (0.43) ANPEPERAP2BCHEOPRM1OPRD1
SCHEMBL5223463 0.86 OPRD1 (0.41) BCHEOPRM1OPRD1OPRK1BACE1
SCHEMBL5223473 0.86 OPRD1 (0.41) BCHEOPRM1OPRD1OPRK1BACE1
SCHEMBL5219195 0.85 SIGMAR1 (0.43) BCHEOPRM1OPRD1OPRK1BACE1
SCHEMBL5218726 0.85 BCHE (0.42) BCHEOPRM1OPRD1OPRK1BACE1
SCHEMBL5218717 0.85 BCHE (0.42) BCHEOPRM1OPRD1OPRK1BACE1
SCHEMBL5219187 0.85 SIGMAR1 (0.43) BCHEOPRM1OPRD1OPRK1BACE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-20050131042-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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 (3 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ANPEP 11/4885ERAP2 209/4885BCHE 201/4885
US-20120041019-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP ANPEP 16/4885ERAP2 80/4885BCHE 429/4885
US-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ANPEP 11/4885ERAP2 209/4885BCHE 201/4885

“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.