SCHEMBL21945034

SCHEMBL21945034

Oc1cc(OC2CCCCC2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.40
▸ PDK2 Q15119 3/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.38
▸ SCN8A Q9UQD0 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ TEAD1 P28347 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ PTGS1 P23219 2/20 0.33
▸ MEN1 O00255 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
SCHEMBL11808579 0.82 GRIN2D (0.47) PDK2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28376348 0.82 GPR35 (0.41) GPR35PDK2SLC6A2SLC6A4GRIN2D
SCHEMBL26070046 0.81 SLC6A2 (0.32) SLC6A2SLC6A4
SCHEMBL10199729 0.77 SLC6A4 (0.38) GPR35PDK2SLC6A2SLC6A4GRIN2D
SCHEMBL21944889 0.77 PDK2 (0.43) PDK2
SCHEMBL18002523 0.77 GPR35 (0.38) GPR35PDK2SLC6A2SLC6A4GRIN2D
SCHEMBL19680522 0.77 PARP10 (0.44) PDK2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15611338 0.76 SLC6A2 (0.43) GPR35PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL15934217 0.76 GRIN2D (0.46) PDK2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21944812 0.76 NFE2L2 (0.47) —

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-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 GPR35 1958/4885PDK2 123/4885SLC6A2 2400/4885

“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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