SCHEMBL13626167

SCHEMBL13626167

CCC(=O)N[C@H]1Cc2ccccc2CN(CC)C1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.49
MME P08473 1/20 0.49
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
TACR1 P25103 2/20 0.48
HRH4 Q9H3N8 1/20 0.48
OPRM1 P35372 6/20 0.46
OPRD1 P41143 3/20 0.45

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
SCHEMBL14169908 0.82 ACE (0.43) ACEMMETACR1HRH4OPRM1
SCHEMBL13626164 0.80 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL13625990 0.74 MTNR1A (0.49) ACEMMEMTNR1AMTNR1B
SCHEMBL4799807 0.74 MTNR1A (0.49) ACEMMEMTNR1AMTNR1B
SCHEMBL4799822 0.74 MTNR1A (0.49) ACEMMEMTNR1AMTNR1B
SCHEMBL4738589 0.73 ANPEP (0.49) OPRM1OPRD1
SCHEMBL7694088 0.73 FNTA (0.50) ACEMMETACR1HRH4OPRM1
SCHEMBL6359193 0.72 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL7340929 0.70 MTNR1A (0.42) ACEMMEMTNR1AMTNR1B
SCHEMBL28871636 0.70 MTNR1A (0.50) MTNR1AMTNR1B

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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. 2009-11-26 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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF PSMC4, PSMB6, EPOR ACE 1758/4885MME 486/4885MTNR1A 730/4885

“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.