SCHEMBL6213449

SCHEMBL6213449

O=C1CCCc2ccc(N3C[C@H](CO)OC3=O)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
MAOB P27338 3/20 0.53
CALML3 P27482 6/20 0.49
HTR6 P50406 5/20 0.43
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP3A4 P08684 1/20 0.40
GRM2 Q14416 1/20 0.38

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
SCHEMBL6192445 1.00 MAOA (0.53) MAOAMAOBCALML3HTR6CYP2C19
SCHEMBL6210714 0.95 MAOA (0.53) MAOAMAOBCALML3HTR6CYP2C19
SCHEMBL6210718 0.95 MAOA (0.53) MAOAMAOBCALML3HTR6CYP2C19
SCHEMBL6194694 0.88 F10 (0.48) MAOAMAOBCALML3HTR6GRM2
SCHEMBL6212123 0.88 F10 (0.48) MAOAMAOBCALML3HTR6GRM2
SCHEMBL6192208 0.85 MAOA (0.57) MAOAMAOBCALML3HTR6CYP2C19
SCHEMBL6190425 0.84 MAOA (0.56) MAOAMAOBCALML3
SCHEMBL6190435 0.84 MAOA (0.56) MAOAMAOBCALML3
SCHEMBL6210499 0.82 CALML3 (0.56) MAOAMAOBCALML3HTR6CYP2C19
SCHEMBL6210506 0.82 CALML3 (0.56) MAOAMAOBCALML3HTR6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288273-A1 Antibacterial agents BOYER FREDERICK E JR 2005-12-29 US disclosed
EP-1594865-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
WO-2004069832-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 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 (1 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-20050288273-A1 Antibacterial agents MRPL21, RPN2, FBL MAOA 236/4885MAOB 221/4885CALML3 4366/4885

“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.