SCHEMBL6211752

SCHEMBL6211752

NC[C@H]1CN(c2ccc3c(c2)CCCCC3=O)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.49
CALML3 P27482 6/20 0.43
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
GRM2 Q14416 3/20 0.39
PRKCI P41743 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6192212 1.00 F10 (0.49) F10CALML3MAOAMAOBGRM2
SCHEMBL6193716 0.88 CALML3 (0.56) CALML3MAOAMAOBPRKCICYP2C9
SCHEMBL6212226 0.88 CALML3 (0.56) CALML3MAOAMAOBPRKCICYP2C9
SCHEMBL6210506 0.85 CALML3 (0.56) CALML3MAOAMAOBPRKCICYP2C9
SCHEMBL6210499 0.85 CALML3 (0.56) CALML3MAOAMAOBPRKCICYP2C9
SCHEMBL9447636 0.85 F10 (0.53) F10CALML3MAOAMAOBGRM2
SCHEMBL9447681 0.85 F10 (0.53) F10CALML3MAOAMAOBGRM2
SCHEMBL6492270 0.83 F10 (0.45) F10CALML3MAOAMAOBCYP2C9
SCHEMBL6493231 0.83 F10 (0.45) F10CALML3MAOAMAOBCYP2C9
Hydrochloric Acid SCHEMBL6244255 0.82 F10 (0.44) F10CALML3MAOAMAOBCYP2C9

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 F10 2894/4885CALML3 4366/4885MAOA 236/4885

“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.