SCHEMBL6236253

SCHEMBL6236253

CC(=O)NCC1CN(c2ccc3c(c2)CCCc2[nH]nc(-c4cccnc4)c2-3)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAOB P27338 2/20 0.42
CALML3 P27482 2/20 0.42
PTGS1 P23219 2/20 0.42
SDHA P31040 2/20 0.42
LMNA P02545 1/20 0.42
ABCB11 O95342 1/20 0.38
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
F10 P00742 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL6210340 1.00 MAOA (0.45) MAOACYP3A4CYP2D6MAOBCALML3
SCHEMBL6243076 0.91 CYP3A4 (0.42) MAOACYP3A4CYP2D6CALML3F10
SCHEMBL6243081 0.91 CYP3A4 (0.42) MAOACYP3A4CYP2D6CALML3F10
SCHEMBL6242292 0.89 MAOA (0.45) MAOACYP3A4CYP2D6MAOBCALML3
SCHEMBL6242288 0.89 MAOA (0.45) MAOACYP3A4CYP2D6MAOBCALML3
SCHEMBL6237819 0.85 MAOA (0.51) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6237827 0.85 MAOA (0.51) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6243306 0.84 MAOA (0.51) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6243297 0.84 MAOA (0.51) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6240231 0.81 MAOA (0.46) MAOAMAOBCALML3PTGS1SDHA

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 236/4885CYP3A4 815/4885CYP2D6 134/4885

“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.