SCHEMBL188447

SCHEMBL188447

[c]1ccc(C2CNCCO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
HTR1A P08908 1/20 0.50

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
SCHEMBL20499601 0.89 DRD2 (0.44) DRD2DRD3HTR1A
SCHEMBL8538844 0.82 DRD2 (0.65) DRD2DRD3HTR1A
SCHEMBL357358 0.82 DRD2 (0.65) DRD2DRD3HTR1A
SCHEMBL4536932 0.82 DRD2 (0.65) DRD2DRD3HTR1A
SCHEMBL1626963 0.82 DRD2 (0.65) DRD2DRD3HTR1A
SCHEMBL1492682 0.82 DRD2 (0.56) DRD2DRD3HTR1A
SCHEMBL134338 0.81 DRD2 (0.54) DRD2DRD3
SCHEMBL28845061 0.81 DRD2 (0.63) DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL1711121 0.81 DRD2 (0.63) DRD2DRD3HTR1A
SCHEMBL503067 0.81 DRD2 (0.54) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710234-B 3,4, 5-trisubstituted isoxazole compound with anti-tumor activity and preparation method and application thereof 华南理工大学 2024-04-16 CN claimed
US-20240101558-A1 AMPK ACTIVATORS KALLYOPE, INC. 2024-03-28 US claimed
EP-4069693-B1 HYDROPYRIDO[1,2-ALPHA]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2024-03-20 EP claimed
US-11851429-B2 AMPK activators KALLYOPE, INC. (US) 2023-12-26 US claimed
EP-3953356-B1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-07-26 EP claimed
CN-116323608-A AMPK activator 卡尔优普公司 2023-06-23 CN claimed
EP-4153589-A1 AMPK ACTIVATORS Kallyope, Inc. (US) 2023-03-29 EP claimed
CN-115710234-A 3,4,5-trisubstituted isoxazole compounds with antitumor activity and preparation method and application thereof 华南理工大学 2023-02-24 CN claimed
US-20230034723-A1 HYDROPYRAZINO[1,2-D][1,4]DIAZEPINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-02-02 US claimed
CN-112876420-B Thiobenzoyl derivative and application thereof 沈阳化工研究院有限公司 2023-01-24 CN claimed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 EP claimed
EP-0871444-A4 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 1999-01-13 EP claimed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
EP-0871444-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-10-21 EP claimed
EP-0863757-A4 1998-09-16 EP claimed
EP-0863757-A1 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-09-16 EP claimed
WO-1997005877-A1 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 WO claimed
WO-1997005878-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 WO claimed

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-11851429-B2 AMPK activators PRKAG1, PRKAG2, PRKAG3 DRD2 4136/4885DRD3 4141/4885HTR1A 2007/4885
US-20230034723-A1 HYDROPYRAZINO[1,2-D][1,4]DIAZEPINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HRH3, HRH4, HRH2 DRD2 209/4885DRD3 146/4885HTR1A 760/4885
US-20240101558-A1 AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAG3 DRD2 4136/4885DRD3 4141/4885HTR1A 2007/4885

“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.