SCHEMBL3436384

SCHEMBL3436384

COC(=O)[C@H]1CN(CC(N)=O)C[C@@H]1c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ F10 P00742 3/20 0.37
▸ PRSS1 P07477 2/20 0.37

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
SCHEMBL13041175 0.83 S1PR1 (0.46) SLC6A2SLC6A4SLC6A3F10PRSS1
SCHEMBL3436382 0.83 S1PR1 (0.46) SLC6A2SLC6A4SLC6A3F10PRSS1
SCHEMBL4757240 0.78 CHRM2 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL4011897 0.75 RORC (0.44) SLC6A2SLC6A4SLC6A3F10PRSS1
SCHEMBL10839544 0.73 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3
SCHEMBL1896746 0.72 USP30 (0.51) —
SCHEMBL13214492 0.71 MEN1 (0.45) GAA
SCHEMBL3436380 0.71 DRD4 (0.52) —
SCHEMBL8686279 0.70 MEN1 (0.52) TSHR
SCHEMBL3736399 0.70 RORC (0.49) SLC6A2SLC6A4SLC6A3F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 — — US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 — — 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 SLC6A2 2876/4885SLC6A4 2509/4885SLC6A3 2292/4885

“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.

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