SCHEMBL1991997

SCHEMBL1991997

CC(C)(C)OC(=O)N1CCC2CN(C(=O)OCc3ccccc3)CCC21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.54
JAK1 P23458 1/20 0.54
CCR5 P51681 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PARP1 P09874 1/20 0.50
HTT P42858 1/20 0.50
CYP2C19 P33261 1/20 0.49
GPR119 Q8TDV5 1/20 0.48
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45

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
SCHEMBL31288285 1.00 JAK2 (0.54) JAK2JAK1CCR5SMN1; SMN2NPC1
SCHEMBL31727280 0.94 SMN1; SMN2 (0.56) JAK2JAK1CCR5SMN1; SMN2NPC1
SCHEMBL31727301 0.94 SMN1; SMN2 (0.56) JAK2JAK1CCR5SMN1; SMN2NPC1
SCHEMBL18452966 0.93 JAK2 (0.53) JAK2JAK1CCR5SMN1; SMN2NPC1
SCHEMBL30923126 0.93 JAK2 (0.53) JAK2JAK1CCR5SMN1; SMN2NPC1
SCHEMBL3058464 0.93 CCR5 (0.51) JAK2JAK1CCR5SMN1; SMN2NPC1
SCHEMBL652803 0.90 JAK2 (0.53) JAK2JAK1CCR5SMN1; SMN2NPC1
SCHEMBL18428244 0.90 JAK2 (0.52) JAK2JAK1CCR5SMN1; SMN2NPC1
SCHEMBL8569488 0.88 CCR5 (0.53) JAK2JAK1CCR5SMN1; SMN2NPC1
SCHEMBL20320016 0.88 SMN1; SMN2 (0.55) JAK2JAK1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472963-A1 DGK TARGETING COMPOUNDS AND USES THEREOF Arvinas Operations, Inc. (US) 2024-12-11 EP disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO JAK2 25/4885JAK1 234/4885CCR5 83/4885

“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.