SCHEMBL652399

SCHEMBL652399

C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP30 Q70CQ3 5/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
STS P08842 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ACKR3 P25106 1/20 0.42
NAMPT P43490 1/20 0.42
TGFBR1 P36897 1/20 0.41

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
SCHEMBL929947 1.00 GPR119 (0.49) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL929948 1.00 GPR119 (0.49) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL651628 1.00 GPR119 (0.49) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL2342730 0.92 GPR119 (0.49) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL3736475 0.92 GPR119 (0.49) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL3736472 0.92 GPR119 (0.49) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL3341010 0.92 GPR119 (0.49) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL31082104 0.90 NAMPT (0.47) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL31082027 0.90 NAMPT (0.47) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL12683487 0.86 GPR119 (0.53) GPR119KDM4EPKMNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US 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-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 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 (2 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 GPR119 1231/4885KDM4E 936/4885PKM 1135/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 GPR119 1231/4885KDM4E 936/4885PKM 1135/4885

“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.