SCHEMBL7069823

SCHEMBL7069823

CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.42
▸ MC3R P41968 2/20 0.42
▸ MC1R Q01726 1/20 0.42
▸ AGTR2 P50052 3/20 0.41
▸ BDKRB2 P30411 2/20 0.39
▸ CFD P00746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ BACE1 P56817 2/20 0.37
▸ APP P05067 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ XIAP P98170 1/20 0.36
▸ MMP3 P08254 1/20 0.36

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
SCHEMBL13164550 0.78 MC4R (0.46) MC4RMC3RMC1RAGTR2CFD
SCHEMBL13746928 0.74 XIAP (0.55) XIAP
SCHEMBL13164553 0.74 XIAP (0.55) XIAP
SCHEMBL13164549 0.73 ABCB1 (0.52) MC4RMC3RMC1RCYP3A4MAPT
SCHEMBL13164551 0.73 ELANE (0.52) MC4RMC3RMC1RXIAP
SCHEMBL13164552 0.70 XIAP (0.43) MC4RMC3RMC1RAGTR2XIAP
SCHEMBL7245592 0.69 APP (0.56) APPMMP3
SCHEMBL11205534 0.69 AGTR2 (0.57) AGTR2BDKRB2
SCHEMBL11205530 0.69 AGTR2 (0.57) AGTR2BDKRB2
SCHEMBL11205539 0.69 AGTR2 (0.57) AGTR2BDKRB2

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-20030232985-A1 Succinoylamino heterocycles as inhibitors of a beta protein production THOMPSON LORIN A (US) 2003-12-18 — — US disclosed
US-20030073701-A1 Succinoylamino heterocycles as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-17 — — 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 (2 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-20030073701-A1 Succinoylamino heterocycles as inhibitors of a beta protein production APP, BACE1, APH1A MC4R 4528/4885MC3R 4722/4885MC1R 3788/4885
US-20030232985-A1 Succinoylamino heterocycles as inhibitors of a beta protein production APP, BACE1, APH1A MC4R 4528/4885MC3R 4722/4885MC1R 3788/4885

“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.

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