SCHEMBL14840870

SCHEMBL14840870

CC(C)(C)[Si](OC1CCC(NC(=O)C(F)(F)F)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNB4 O00305 1/20 0.40
▸ CACNA1A O00555 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNG3 O60359 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNB3 P54284 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNG7 P62955 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ CACNA1D Q01668 1/20 0.40
▸ CACNB1 Q02641 1/20 0.40
▸ CACNG1 Q06432 1/20 0.40
▸ CACNB2 Q08289 1/20 0.40
▸ CACNA1S Q13698 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ CACNA1E Q15878 1/20 0.40
▸ CACNA2D4 Q7Z3S7 1/20 0.40
▸ CACNA2D3 Q8IZS8 1/20 0.40
▸ CACNG8 Q8WXS5 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
SCHEMBL14840871 1.00 CACNB4 (0.40) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL14631540 0.87 BACE1 (0.38) SSTR4SMN1; SMN2BACE1KDM1AMAOB
SCHEMBL14631539 0.87 BACE1 (0.38) SSTR4SMN1; SMN2BACE1KDM1AMAOB
SCHEMBL14646990 0.83 KDM1A (0.53) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL14840918 0.82 DRD2 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL14840917 0.82 DRD2 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL14461324 0.80 BACE1 (0.43) SMN1; SMN2BACE1
SCHEMBL31295036 0.79 BACE1 (0.39) SMN1; SMN2BACE1KDM1AMAOB
SCHEMBL1501373 0.78 BACE1 (0.40) SMN1; SMN2BACE1ALDH1A1
SCHEMBL10437850 0.78 BACE1 (0.40) SMN1; SMN2BACE1ALDH1A1

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-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 — — US disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 — — 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-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 CACNB4 4677/4885CACNA1A 3670/4885CACNA1G 4587/4885

“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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