SCHEMBL13626164

SCHEMBL13626164

CCC(=O)N[C@@H]1C(=O)N(CC)Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
XIAP P98170 1/20 0.42
ALDH1A1 P00352 2/20 0.40
SPPL2A Q8TCT8 6/20 0.40
NAMPT P43490 1/20 0.40
DRD2 P14416 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38

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
SCHEMBL13626167 0.80 ACE (0.49) MTNR1AMTNR1B
SCHEMBL8402847 0.78 MTNR1A (0.55) MTNR1AMTNR1BMEN1KMT2ACYP1A2
SCHEMBL14170056 0.71 PDPK1 (0.33) MTNR1AMTNR1BMEN1KMT2ACYP1A2
SCHEMBL31307156 0.69 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14690659 0.69 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14169872 0.68 PRCP (0.44) MEN1KMT2AALOX15XIAPALDH1A1
SCHEMBL22852442 0.67 XIAP (0.60) MTNR1AMTNR1BXIAPPSEN1PSEN2
SCHEMBL7445856 0.67 ALDH1A1 (0.61) MTNR1AMTNR1BMEN1KMT2ATSHR
SCHEMBL17335683 0.67 ALDH1A1 (0.61) MTNR1AMTNR1BMEN1KMT2ATSHR
SCHEMBL26779718 0.67 ALDH1A1 (0.61) MTNR1AMTNR1BMEN1KMT2ATSHR

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 619/4885MEN1 1973/4885

“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.