SCHEMBL2533451

SCHEMBL2533451

CCC(=CCC(C)NC)C(=O)N(C)[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC(O)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.36
CYP51A1 Q16850 4/20 0.36
REN P00797 2/20 0.35
MME P08473 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PYGL P06737 1/20 0.34
KMT2A Q03164 1/20 0.34
CACNA1B Q00975 1/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HCRTR2 O43614 2/20 0.33
OPRM1 P35372 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL2533450 1.00 OPRD1 (0.36) OPRD1CYP51A1RENMMEHRH3
SCHEMBL3361699 0.81 CYP51A1 (0.46) OPRD1CYP51A1RENMMEHRH3
SCHEMBL3047893 0.76 OPRD1 (0.49) OPRD1CYP51A1HRH2HRH1
SCHEMBL27800005 0.76 OPRD1 (0.49) OPRD1CYP51A1HRH2HRH1
SCHEMBL867917 0.75 GHSR (0.53) CYP51A1MMEPYGL
SCHEMBL867918 0.75 GHSR (0.53) CYP51A1MMEPYGL
SCHEMBL868066 0.73 GHSR (0.42) OPRD1CYP51A1MMEHRH2HRH1
SCHEMBL868545 0.73 GHSR (0.57) OPRD1CYP51A1
SCHEMBL868065 0.73 GHSR (0.42) OPRD1CYP51A1MMEHRH2HRH1
SCHEMBL868544 0.73 GHSR (0.57) OPRD1CYP51A1

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-8039457-B2 Method of stimulating the motility of the gastrointestinal system using growth hormone secretagogues HELSINN THERAPEUTICS (U.S.), INC. (US) 2011-10-18 US disclosed
US-20100087381-A1 Method of Stimulating the Motility of the Gastrointestinal System Using Growth Hormone Secretagogues HELSINN THERAPEUTICS (U.S.), INC. (US) 2010-04-08 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-20100087381-A1 Method of Stimulating the Motility of the Gastrointestinal System Using Growth Hormone Secretagogues GHSR, GHRHR, MLNR OPRD1 57/4885CYP51A1 2293/4885REN 267/4885

“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.