SCHEMBL22720456

SCHEMBL22720456

CC(C)(C)OC(=O)N1CCC(N2CCCC2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.49
EPHX1 P07099 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
FPR2 P25090 1/20 0.46
GPR119 Q8TDV5 3/20 0.45
RECQL P46063 1/20 0.45
VNN1 O95497 1/20 0.44
HCAR1 Q9BXC0 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43

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
SCHEMBL1976724 0.96 HPGD (0.52) HPGDTP53EPHX1KDM4EMAPT
SCHEMBL16992349 0.94 HPGD (0.55) HPGDTP53EPHX1KDM4EMAPT
SCHEMBL21201857 0.92 VNN1 (0.50) HPGDTP53EPHX1KDM4EMAPT
SCHEMBL994316 0.91 TP53 (0.51) HPGDTP53EPHX1KDM4EMAPT
SCHEMBL2674657 0.87 FPR2 (0.44) HPGDEPHX1KDM4EMAPTTHRB
SCHEMBL15491802 0.85 HPGD (0.48) HPGDTP53EPHX1KDM4EMAPT
SCHEMBL3712249 0.85 FPR2 (0.50) HPGDKDM4EMAPTTHRBFPR2
SCHEMBL7891812 0.85 FPR2 (0.50) HPGDKDM4EMAPTTHRBFPR2
SCHEMBL7888040 0.85 FPR2 (0.50) HPGDKDM4EMAPTTHRBFPR2
SCHEMBL19188152 0.84 EPHX1 (0.47) HPGDTP53EPHX1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034116-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF BEBETTER MED INC. (CN) 2025-01-30 US disclosed
CN-118745176-A Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-10-08 CN disclosed
CN-118745177-A Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-10-08 CN disclosed
CN-113423703-B Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-02 CN disclosed
CN-116615417-B 1, 4-Diheterocyclic group substituted aromatic ring or aromatic heterocyclic compound and application thereof 广州必贝特医药股份有限公司 2024-05-14 CN disclosed
WO-2023185821-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2023-10-05 WO disclosed
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2023-09-07 US disclosed
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2023-09-07 US disclosed
CN-116615417-A 1, 4-diheterocycle substituted aromatic ring or aromatic heterocyclic compound and application thereof 广州必贝特医药股份有限公司 2023-08-18 CN disclosed
US-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-07-07 US disclosed
CN-113423703-A Nitrogen-containing heterocyclic derivative regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-09-21 CN disclosed
WO-2020239077-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed
WO-2020239077-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2020-12-03 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 (3 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-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, NRAS, GNAQ HPGD 536/4885TP53 14/4885EPHX1 3216/4885
US-20250034116-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF CYP46A1, CYP4A22, CYP2C19 HPGD 79/4885TP53 4283/4885EPHX1 66/4885
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 HPGD 55/4885TP53 491/4885EPHX1 893/4885

“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.