SCHEMBL14852901

SCHEMBL14852901

CC(C)(CC[C@H]1CC[C@H](N)CC1)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MERTK Q12866 8/20 0.32
▸ AXL P30530 5/20 0.32
▸ TYRO3 Q06418 5/20 0.32
▸ OPRL1 P41146 1/20 0.30
▸ CPB1 P15086 1/20 0.30
▸ CPB2 Q96IY4 1/20 0.30

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
SCHEMBL12067752 1.00 CHRM3 (0.33) CHRM3DRD2F2PRSS1HTR1A
SCHEMBL19575551 0.87 CHRM3 (0.34) CHRM3MERTKAXLTYRO3
SCHEMBL12067807 0.87 F2 (0.33) CHRM3DRD2F2PRSS1HTR1A
SCHEMBL14852948 0.87 F2 (0.33) CHRM3DRD2F2PRSS1HTR1A
SCHEMBL10280031 0.86 CHRM3 (0.33) CHRM3
SCHEMBL12670478 0.82 CHRM3 (0.36) CHRM3
SCHEMBL14315896 0.80 AKR1C3 (0.39) CHRM3
SCHEMBL18362873 0.79 VCP (0.40) —
SCHEMBL13409937 0.78 OPRL1 (0.36) OPRL1
SCHEMBL13635193 0.78 CHRM3 (0.33) CHRM3

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 CHRM3 4805/4885DRD2 3721/4885F2 1143/4885

“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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