SCHEMBL5153995

SCHEMBL5153995

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H]([C]=O)Cc1ccc(O)cc1)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.48
OPRM1 P35372 3/20 0.48
OPRD1 P41143 3/20 0.48
MME P08473 2/20 0.46
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
ANPEP P15144 2/20 0.46
LNPEP Q9UIQ6 2/20 0.46
PLG P00747 1/20 0.44
SLC6A2 P23975 1/20 0.43
OPRK1 P41145 1/20 0.43
CTSC P53634 1/20 0.43
CTSD P07339 1/20 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
SCHEMBL30565308 0.85 ACE (0.57) ACEOPRM1OPRD1MMECPA1
SCHEMBL10617891 0.85 ACE (0.59) ACEMMECPA1ACE2CTSD
SCHEMBL10617903 0.85 ACE (0.59) ACEMMECPA1ACE2CTSD
SCHEMBL11598550 0.85 ACE (0.48) ACEMMECPA1ACE2ANPEP
SCHEMBL28445731 0.84 CTSD (0.46) ACEOPRM1OPRD1MMECPA1
SCHEMBL27788518 0.84 CTSC (0.57) ACEMMECPA1ACE2CTSC
SCHEMBL30832636 0.84 ACE (0.53) ACEOPRM1OPRD1MMECPA1
SCHEMBL16468891 0.83 CTSD (0.46) ACEMMECPA1ACE2CTSC
SCHEMBL2183397 0.82 ALDH1A1 (0.43) OPRM1OPRD1MMEOPRK1CTSC
SCHEMBL8936979 0.81 OPRD1 (0.49) ACEOPRM1OPRD1MMECPA1

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-20070010543-A1 Compositions and methods for treating gastrointestinal hypomotility and associated disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-01-11 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-20070010543-A1 Compositions and methods for treating gastrointestinal hypomotility and associated disorders HTR3A, HNMT, HTR3B ACE 2124/4885OPRM1 311/4885OPRD1 674/4885

“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.