SCHEMBL29840385

SCHEMBL29840385

CC(C)(C)OC(=O)N1CC=C(c2ccc(Br)nc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
CYP11B2 P19099 1/20 0.52
PDK4 Q16654 1/20 0.51
GRM1 Q13255 11/20 0.51
GRM5 P41594 11/20 0.51
ATR Q13535 1/20 0.48
BTK Q06187 1/20 0.48
CDK7 P50613 1/20 0.47
CDK13 Q14004 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
WNT3A P56704 1/20 0.47
TNK2 Q07912 1/20 0.47

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
SCHEMBL23306173 1.00 NAMPT (0.55) NAMPTCYP11B2PDK4GRM1GRM5
SCHEMBL29840400 1.00 NAMPT (0.55) NAMPTCYP11B2PDK4GRM1GRM5
SCHEMBL29580437 0.88 NAMPT (0.53) NAMPTCYP11B2PDK4GRM1GRM5
SCHEMBL22324763 0.88 NAMPT (0.53) NAMPTCYP11B2PDK4GRM1GRM5
SCHEMBL29891644 0.88 NAMPT (0.55) NAMPTCYP11B2PDK4GRM1GRM5
SCHEMBL15095872 0.88 NAMPT (0.55) NAMPTCYP11B2PDK4GRM1GRM5
SCHEMBL31131421 0.87 NAMPT (0.54) NAMPTCYP11B2PDK4GRM1GRM5
SCHEMBL31329138 0.87 NAMPT (0.54) NAMPTCYP11B2PDK4GRM1GRM5
SCHEMBL12558047 0.87 NAMPT (0.54) NAMPTCYP11B2PDK4GRM1GRM5
SCHEMBL31329048 0.87 NAMPT (0.54) NAMPTCYP11B2PDK4GRM1GRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929345-B Substituted pyrazole compounds as TOLL receptor inhibitors 百时美施贵宝公司 2024-07-23 CN disclosed
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2023-04-20 US disclosed
EP-4051388-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS Bristol-Myers Squibb Company (US) 2022-09-07 EP disclosed
CN-114929345-A Substituted pyrazole compounds as TOLL receptor inhibitors 百时美施贵宝公司 2022-08-19 CN 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-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS TLR1, TLR3, TLR9 NAMPT 963/4885CYP11B2 1476/4885PDK4 2123/4885

“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.