SCHEMBL2899552

SCHEMBL2899552

CON(C)C(=O)C(C)(CC1CCOCC1)c1ccc(SC)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
GPR119 Q8TDV5 1/20 0.33
CNR2 P34972 4/20 0.33
POLB P06746 1/20 0.33
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MTOR P42345 4/20 0.32
RPTOR Q8N122 3/20 0.32
MLST8 Q9BVC4 3/20 0.32
RICTOR Q6R327 2/20 0.32
MAPKAP1 Q9BPZ7 2/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX3 P56373 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL2902415 0.81 GPR119 (0.47) GPR119CNR2POLBALDH1A1TSHR
SCHEMBL2900430 0.80 MTOR (0.34) GPR119CNR2CNR1ALDH1A1TSHR
SCHEMBL2893406 0.74 GRM4 (0.38) RAB9ANPC1POLBSMN1; SMN2
SCHEMBL2896677 0.73 GCK (0.35) RAB9ANPC1CNR2CNR1P2RX3
SCHEMBL2902678 0.64 SSTR3 (0.33) RAB9ANPC1TSHRMAPK1SMN1; SMN2
SCHEMBL2899346 0.63 GCK (0.37)
SCHEMBL2899793 0.63 HPGD (0.33) RAB9ACNR2ALDH1A1KMT2A
SCHEMBL2898507 0.63 GCK (0.37) GPR119P2RX3
SCHEMBL13341661 0.62 GCK (0.41)
SCHEMBL2894043 0.62 GCK (0.37) P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 EP disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 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-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 RAB9A 3633/4885NPC1 1413/4885GPR119 6/4885

“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.