SCHEMBL8044343

SCHEMBL8044343

O=C(O)[C@H]1C[C@@H](O)CN1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.50
GRM6 O15303 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MAPT P10636 1/20 0.49
AGTR2 P50052 1/20 0.46
ACE P12821 1/20 0.46
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FUCA1 P04066 2/20 0.44
PDCD1 Q15116 2/20 0.43
GBA1 P04062 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
SCHEMBL20745515 1.00 CD274 (0.50) CD274GRM6MAOAMAOBMAPT
SCHEMBL9218563 1.00 CD274 (0.50) CD274GRM6MAOAMAOBMAPT
SCHEMBL6545054 1.00 CD274 (0.50) CD274GRM6MAOAMAOBMAPT
SCHEMBL5067829 1.00 CD274 (0.50) CD274GRM6MAOAMAOBMAPT
Hydrochloric Acid SCHEMBL2495103 0.98 CD274 (0.49) CD274GRM6MAOAMAOBMAPT
SCHEMBL27508562 0.88 MAOA (0.62) GRM6MAOAMAOBMAPTKDM4E
SCHEMBL1162855 0.88 MAOA (0.62) GRM6MAOAMAOBMAPTKDM4E
SCHEMBL18347538 0.86 MAPT (0.55) CD274GRM6MAOAMAOBMAPT
SCHEMBL24938939 0.85 CYP3A4 (0.50) MAOAMAOBMAPTKDM4E
SCHEMBL4249938 0.85 CYP3A4 (0.50) MAOAMAOBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774843-B1 DIPEPTIDE PIPERIDINE DERIVATIVES MOLECURE SA (PL) 2022-05-25 EP disclosed
US-10851099-B2 Dipeptide piperidine derivatives Oncoarendi Therapeutics S.A. (PL) 2020-12-01 US disclosed
US-20190300525-A1 DIPEPTIDE PIPERIDINE DERIVATIVES Oncoarendi Therapeutics S.A. (PL) 2019-10-03 US disclosed
US-9790229-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-10-17 US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
EP-0711755-B1 Pyrrolidinyl di-carboxylic acid derivatives as metabotropic glutamate receptor antagonists LILLY CO ELI (US) 2000-05-31 EP disclosed
WO-1996015108-A1 PYRROLIDINYL DI-CARBOXYLIC ACID DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 1996-05-23 WO disclosed
EP-0711755-A1 Pyrrolidinyl di-carboxylic acid derivatives as metabotropic glutamate receptor antagonists ELI LILLY AND COMPANY (US) 1996-05-15 EP disclosed
US-5473077-A 4-aminopyrrolidine-2,4-substitude independently with carboxylic acid or 5-tetrazolyl for treating nervous system disorders and psychological disorders ELI LILLY AND COMPANY (US) 1995-12-05 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 (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-10851099-B2 Dipeptide piperidine derivatives ARG1, ARG2, PEPD CD274 3794/4885GRM6 2505/4885MAOA 2821/4885
US-20190300525-A1 DIPEPTIDE PIPERIDINE DERIVATIVES ARG1, ARG2, PEPD CD274 3794/4885GRM6 2505/4885MAOA 2821/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CD274 92/4885GRM6 3168/4885MAOA 2493/4885

“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.