SCHEMBL5403763

SCHEMBL5403763

N[C@@H]1CN(C(=O)O)C[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.33
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 0.30

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
SCHEMBL745985 1.00 GABRR1 (0.33) GABRR1SLC6A12SLC6A11SLC6A13
SCHEMBL505726 1.00 GABRR1 (0.33) GABRR1SLC6A12SLC6A11SLC6A13
SCHEMBL4609252 1.00 GABRR1 (0.33) GABRR1SLC6A12SLC6A11SLC6A13
SCHEMBL841973 1.00 GABRR1 (0.33) GABRR1SLC6A12SLC6A11SLC6A13
SCHEMBL18555595 1.00 GABRR1 (0.33) GABRR1SLC6A12SLC6A11SLC6A13
SCHEMBL18957048 1.00 GABRR1 (0.33) GABRR1SLC6A12SLC6A11SLC6A13
SCHEMBL4627762 0.85 GABRR1 (0.39) GABRR1SLC6A12SLC6A11SLC6A13
SCHEMBL3620776 0.85 GABRR1 (0.39) GABRR1SLC6A12SLC6A11SLC6A13
SCHEMBL3620778 0.85 GABRR1 (0.39) GABRR1SLC6A12SLC6A11SLC6A13
SCHEMBL19816446 0.85 GABRR1 (0.39) GABRR1SLC6A12SLC6A11SLC6A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4360713-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS F. Hoffmann-La Roche AG (CH) 2024-05-01 EP disclosed
US-20240116926-A1 HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2024-04-11 US disclosed
EP-3853220-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN LA ROCHE (CH) 2024-01-03 EP disclosed
WO-2023209086-A1 BICYCLIC HETEROAROMATIC COMPOUNDS FOR TREATING CANCER ASTRAZENECA AB (SE) 2023-11-02 WO disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2023-09-21 US disclosed
US-11723908-B2 Quinazoline derivatives as antitumor agents SUZHOU ZANRONG PHARMA LIMITED (CN) 2023-08-15 US disclosed
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 US disclosed
EP-4169575-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS Sato Pharmaceutical Co., Ltd. (JP) 2023-04-26 EP disclosed
EP-4126839-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS Dong-A ST Co., Ltd. (KR) 2023-02-08 EP disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 US disclosed
US-6964965-B2 Substituted pyrazine derivatives PHARMACIA & UPJOHN (US) 2005-11-15 US disclosed
US-20050038040-A1 Compounds as CRF1 receptor antagonists PFIZER INC 2005-02-17 US disclosed
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP disclosed
US-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds PFIZER INC 2004-12-02 US disclosed
WO-2004099201-A1 COMPOUNDS AS CRF1 RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-18 WO disclosed
WO-2004099213-A2 PYRROLO (1,2-B) PYRIDAZINE COMPOUNDS AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-18 WO disclosed
US-20040053941-A1 Substituted pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2004-03-18 US disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 WO disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US 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 (9 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-20040053941-A1 Substituted pyrazine derivatives CRHR1, CRHR2, CRH GABRR1 463/4885SLC6A12 3405/4885SLC6A11 677/4885
US-20240116926-A1 HETEROAROMATIC COMPOUNDS CYP1B1, CYP2D6, CYP1A1 GABRR1 3568/4885SLC6A12 3690/4885SLC6A11 2147/4885
US-20050038040-A1 Compounds as CRF1 receptor antagonists CRHR1, CRHR2, CRH GABRR1 324/4885SLC6A12 800/4885SLC6A11 178/4885
US-11723908-B2 Quinazoline derivatives as antitumor agents ABL1, TP53, JAK1 GABRR1 2577/4885SLC6A12 4404/4885SLC6A11 4597/4885
US-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds CRHR1, CRHR2, CRH GABRR1 522/4885SLC6A12 860/4885SLC6A11 282/4885
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ABL1, TP53, JAK1 GABRR1 2577/4885SLC6A12 4404/4885SLC6A11 4597/4885
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS HPGDS, PTGS1, PTGIS GABRR1 1461/4885SLC6A12 4551/4885SLC6A11 3292/4885
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, AIPL1 GABRR1 4081/4885SLC6A12 4800/4885SLC6A11 4691/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A GABRR1 604/4885SLC6A12 2187/4885SLC6A11 275/4885

“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.