SCHEMBL1693754

SCHEMBL1693754

CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GPR119 Q8TDV5 3/20 0.48
CNR1 P21554 3/20 0.47
LMNA P02545 1/20 0.46
CNR2 P34972 1/20 0.46
NSD2 O96028 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
STS P08842 2/20 0.44
BTK Q06187 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.42
EPHX1 P07099 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
SCHEMBL16135819 0.89 ALDH1A1 (0.50) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL1711753 0.87 ALDH1A1 (0.53) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL1163532 0.87 NOS2 (0.54) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL4713023 0.86 ALDH1A1 (0.49) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL26671770 0.85 NSD2 (0.51) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL27101031 0.85 ALDH1A1 (0.51) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL29712752 0.85 ALDH1A1 (0.47) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL27100995 0.85 ALDH1A1 (0.47) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL1779986 0.85 ALDH1A1 (0.47) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL27907289 0.84 MAPT (0.44) MAPTALDH1A1MAPK1HTTL3MBTL1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF LG CHEM, LTD. (KR) 2024-02-29 US disclosed
US-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF LG CHEM, LTD. (KR) 2024-02-29 US disclosed
WO-2023229380-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO disclosed
WO-2023229378-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO disclosed
EP-4249489-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF Lg Chem, Ltd. (KR) 2023-09-27 EP disclosed
CN-116615199-A Heterocyclic compounds as diacylglycerol kinase inhibitors and uses thereof 株式会社LG化学 2023-08-18 CN disclosed
WO-2022114812-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2022-06-02 WO disclosed
WO-2022114812-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2022-06-02 WO disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 US disclosed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 EP disclosed
US-6953793-B2 Substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-10-11 US disclosed
US-20050101587-A9 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICALS, INC. 2005-05-12 US disclosed
US-6583155-B2 Administering 2-(1-(3-(5-Acetyl-3-(4-chloro-phenyl)-4,5,6,7-tetrahydro-pyrazolo-(4,3 -c)pyridin-1-yl)-2-hydroxy-propyl)-piperidin-4-ylamino)-benzonitrile for inhibiting cathepsins; for treating atopic diseases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 US disclosed
EP-1315490-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309593-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20030078419-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-24 US disclosed
US-20020115656-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-08-22 US disclosed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 US disclosed
WO-2002020011-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 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 (6 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-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV MAPT 3187/4885ALDH1A1 2313/4885NPC1 918/4885
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 MAPT 2459/4885ALDH1A1 4838/4885NPC1 533/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 MAPT 2904/4885ALDH1A1 1241/4885NPC1 1425/4885
US-20050101587-A9 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 MAPT 2904/4885ALDH1A1 1241/4885NPC1 1425/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 MAPT 2904/4885ALDH1A1 1241/4885NPC1 1425/4885
US-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF DGKA, DGKB, DGKK MAPT 4016/4885ALDH1A1 2241/4885NPC1 1024/4885

“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.