SCHEMBL4719681

SCHEMBL4719681

OCCOc1ccc2c(c1)CNCC2

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.61
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
HRH1 P35367 1/20 0.50
CD274 Q9NZQ7 1/20 0.48
PNMT P11086 3/20 0.47

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
SCHEMBL23258737 0.94 HRH3 (0.61) HRH3ADRA2AADRA2BADRA2CHRH1
SCHEMBL22755555 0.87 HRH3 (0.46) HRH3HRH1CD274
SCHEMBL30101456 0.87 HRH3 (0.46) HRH3HRH1CD274
SCHEMBL12895388 0.84 HRH3 (0.61) HRH3ADRA2AADRA2BADRA2CHRH1
Hydrochloric Acid SCHEMBL1266623 0.83 HRH3 (0.60) HRH3ADRA2AADRA2BADRA2CHRH1
SCHEMBL21659430 0.83 HRH3 (0.60) HRH3ADRA2AADRA2BADRA2CHRH1
Hydrochloric Acid SCHEMBL4715868 0.82 HRH3 (0.59) HRH3ADRA2AADRA2BADRA2CHRH1
Hydrochloric Acid SCHEMBL31014010 0.80 HRH3 (0.71) HRH3ADRA2AADRA2BADRA2CHRH1
SCHEMBL23321027 0.79 ALOX15 (0.66) HRH3ADRA2AADRA2BADRA2CPNMT
SCHEMBL30778174 0.78 TSHR (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459323-B2 Monocyclic β-lactam compound for treating bacterial infection MEDSHINE DISCOVERY INC. (CN) 2022-10-04 US disclosed
US-20210115035-A1 MONOCYCLIC B-LACTAM COMPOUND FOR TREATING BACTERIAL INFECTION Shenzhen Optimum Biological Technology Co., Ltd (CN) 2021-04-22 US disclosed
EP-3747883-A1 MONOCYCLIC B-LACTAM COMPOUND FOR TREATING BACTERIAL INFECTION Medshine Discovery Inc. (CN) 2020-12-09 EP disclosed
EP-1940819-A1 PHOSPHODIESTERASE 10 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 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-20070093515-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE12, PDE10A HRH3 4640/4885ADRA2A 1301/4885ADRA2B 1507/4885
US-11459323-B2 Monocyclic β-lactam compound for treating bacterial infection PEPD, COASY, MRPL21 HRH3 2491/4885ADRA2A 1440/4885ADRA2B 1291/4885
US-20210115035-A1 MONOCYCLIC B-LACTAM COMPOUND FOR TREATING BACTERIAL INFECTION COASY, BCAT2, PEPD HRH3 2159/4885ADRA2A 1669/4885ADRA2B 1036/4885

“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.