SCHEMBL13558785

SCHEMBL13558785

CCCCC(C=O)(CCCC)NC(=N)NCCC1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 2/20 0.45
▸ TPSD1 Q9BZJ3 2/20 0.45
▸ TPSG1 Q9NRR2 2/20 0.45
▸ HTT P42858 1/20 0.42
▸ BCHE P06276 5/20 0.42
▸ ACHE P22303 5/20 0.42
▸ GRIN2B Q13224 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PRCP P42785 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CACNA1F O60840 2/20 0.40
▸ CACNA1D Q01668 2/20 0.40
▸ CACNA1S Q13698 2/20 0.40
▸ CACNA1C Q13936 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLG P00747 1/20 0.40

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
SCHEMBL8266435 0.81 TPSAB1 (0.46) TPSAB1TPSD1TPSG1HTTBCHE
SCHEMBL19658451 0.77 SMN1; SMN2 (0.54) TPSAB1TPSD1TPSG1HTTGRIN2B
SCHEMBL9144556 0.75 HTT (0.51) TPSAB1TPSD1TPSG1HTTBCHE
SCHEMBL19652100 0.75 SMN1; SMN2 (0.51) TPSAB1TPSD1TPSG1HTTBCHE
SCHEMBL19658635 0.74 BCHE (0.49) TPSAB1TPSD1TPSG1HTTBCHE
SCHEMBL13597265 0.74 SMN1; SMN2 (0.64) HTTGRIN2BSMN1; SMN2NPC1RAB9A
SCHEMBL8764844 0.73 HTT (0.60) TPSAB1TPSD1TPSG1HTTGRIN2B
SCHEMBL14794935 0.72 SMN1; SMN2 (0.63) HTTGRIN2BSMN1; SMN2NPC1RAB9A
SCHEMBL13519706 0.72 SMN1; SMN2 (0.67) HTTGRIN2BSMN1; SMN2NPC1RAB9A
SCHEMBL12889378 0.72 SMN1; SMN2 (0.63) HTTGRIN2BSMN1; SMN2NPC1RAB9A

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-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — 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-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D TPSAB1 76/4885TPSD1 39/4885TPSG1 70/4885

“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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