SCHEMBL13625990

SCHEMBL13625990

CCC(=O)N[C@H]1Cc2ccccc2N(C(C)(C)C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.49
MTNR1B P49286 5/20 0.49
PYGL P06737 4/20 0.43
PYGM P11217 3/20 0.43
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL13611912 0.85 PYGL (0.42) PYGLPYGMMMEACEMEN1
SCHEMBL4799822 0.80 MTNR1A (0.49) MTNR1AMTNR1BPYGLPYGMMME
SCHEMBL4799807 0.80 MTNR1A (0.49) MTNR1AMTNR1BPYGLPYGMMME
SCHEMBL13626167 0.74 ACE (0.49) MTNR1AMTNR1BMMEACE
SCHEMBL13886102 0.72 MME (0.47) PYGLMMEACE
SCHEMBL7421160 0.72 SCN9A (0.48) ACE
SCHEMBL7416568 0.69 SCN9A (0.43) ACE
SCHEMBL7423602 0.68 SCN9A (0.56) PYGLPYGM
SCHEMBL4799483 0.68 SCN9A (0.56) PYGLPYGM
SCHEMBL6763198 0.68 AADAT (0.49) PYGLPYGM

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 MTNR1A 730/4885MTNR1B 619/4885PYGL 2369/4885

“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.