SCHEMBL2839757

SCHEMBL2839757

O=C(O)NCCc1cc(-c2ccccc2)c(C(O)c2ccccc2)s1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.36
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
FAAH O00519 1/20 0.34
C3AR1 Q16581 1/20 0.34
LMNA P02545 2/20 0.33
CASR P41180 2/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
TACR1 P25103 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL2839753 0.76 MEN1 (0.40) TP53TACR1
SCHEMBL2838907 0.74 RORC (0.43) FAAHLMNAPOLBMAPTNPSR1
SCHEMBL7433359 0.67 CYP2A6 (0.53) FAAHPOLB
SCHEMBL19212244 0.62 PTGDR2 (0.47) MTNR1AMTNR1BHIF1A
SCHEMBL3510106 0.62 MTNR1A (0.53) MTNR1AMTNR1BLMNACASR
SCHEMBL1728418 0.62 CNR1 (0.59) FAAHLMNAHIF1A
SCHEMBL4139239 0.62 CA2 (0.37) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL1826922 0.61 POLB (0.45) POLBMAPT
SCHEMBL25239150 0.61 TAAR1 (0.36) ADAM17MAPT
SCHEMBL2726416 0.61 MTNR1A (0.72) MTNR1AMTNR1BCASR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162798-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2021-04-14 EP disclosed
EP-3162798-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP disclosed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 EP 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-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R ADAM17 3721/4885MTNR1A 1012/4885MTNR1B 1116/4885

“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.