SCHEMBL19699382

SCHEMBL19699382

Cc1cnc(N2CC(O)C2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
GRM4 Q14833 1/20 0.35
ACACB O00763 2/20 0.34
CHRM3 P20309 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SMO Q99835 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ABL1 P00519 1/20 0.34
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
CHRM4 P08173 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
SCHEMBL21546423 0.85 OPRK1 (0.38) OPRK1GRM4ACACBCHRM3PDE4A
SCHEMBL18487129 0.80 ACACB (0.46) OPRK1JAK2JAK1TYK2ACACB
SCHEMBL29414900 0.80 ACACB (0.46) OPRK1JAK2JAK1TYK2ACACB
SCHEMBL17512512 0.80 JAK2 (0.36) OPRK1JAK2JAK1TYK2GRM4
SCHEMBL20244771 0.78 CHRM3 (0.41) OPRK1CHRM3PDE4APDE4BPDE4C
SCHEMBL4137416 0.77 OPRK1 (0.42) OPRK1
SCHEMBL24240547 0.77 ACACB (0.37) OPRK1GRM4ACACB
SCHEMBL15294737 0.76 OPRK1 (0.61) OPRK1
SCHEMBL21546394 0.75 OPRK1 (0.40) OPRK1ACACB
SCHEMBL19689526 0.75 OPRK1 (0.44) OPRK1JAK2JAK1TYK2ACACB

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-20170355693-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2017-12-14 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-20170355693-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 OPRK1 662/4885JAK2 2314/4885JAK1 3788/4885

“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.