SCHEMBL29642341

SCHEMBL29642341

COC(=O)[C@H]1C(=O)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.41
PREP P48147 4/20 0.39
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KAT2B Q92831 1/20 0.33
ABCB1 P08183 1/20 0.33
HDAC1 Q13547 1/20 0.33
PDE4B Q07343 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL797568 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3CYP1A2HIF1A
SCHEMBL15239620 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3CYP1A2HIF1A
SCHEMBL1012317 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3CYP1A2HIF1A
SCHEMBL7247150 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL1010269 0.84 CYP1A2 (0.54) CHRM2CHRM1CHRM3CYP1A2HIF1A
SCHEMBL16237251 0.83 CHRM2 (0.37) CHRM2CHRM1CHRM3CYP1A2HIF1A
SCHEMBL20845556 0.83 CYP1A2 (0.49) CYP1A2HIF1AALDH1A1
SCHEMBL24701533 0.83 CHRM2 (0.44) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL31080086 0.80 CHRM2 (0.50) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL21124699 0.80 CHRM2 (0.50) CHRM2CHRM1CHRM3PREPHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12240862-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2025-03-04 US disclosed
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
EP-4267587-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES Gilead Sciences, Inc. (US) 2023-11-01 EP disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20220227787-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2022-07-21 US disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO 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 (4 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-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 CHRM2 2520/4885CHRM1 3045/4885CHRM3 3352/4885
US-20220227787-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 CHRM2 1849/4885CHRM1 2200/4885CHRM3 2713/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 CHRM2 2520/4885CHRM1 3045/4885CHRM3 3352/4885
US-12240862-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 CHRM2 2520/4885CHRM1 3045/4885CHRM3 3352/4885

“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.