SCHEMBL6748757

SCHEMBL6748757

[CH2]c1ccc(N2CCCCC2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CHRM4 P08173 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
JAK3 P52333 1/20 0.39
GFER P55789 1/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AKR1C3 P42330 5/20 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
SCHEMBL26326850 0.83 MAOA (0.51) MAOAMAOBBCHEACHECHRM4
SCHEMBL26326852 0.83 MAOA (0.51) MAOAMAOBBCHEACHECHRM4
SCHEMBL22816347 0.81 MAOA (0.50) MAOAMAOBBCHEACHECHRM4
SCHEMBL16254933 0.81 PSEN1 (0.51) MAOAMAOBBCHEACHECHRM4
SCHEMBL3567064 0.81 ALDH1A1 (0.54) MAOAMAOBBCHEACHECHRM4
SCHEMBL7075696 0.81 MAOA (0.60) MAOAMAOBBCHEACHECHRM4
SCHEMBL1031411 0.78 MAOA (0.47) MAOAMAOBBCHEACHECHRM4
SCHEMBL5434382 0.78 MAPT (0.50) MAOAMAOBBCHEACHECHRM4
SCHEMBL1030749 0.78 MAOA (0.47) MAOAMAOBBCHEACHECHRM4
SCHEMBL1028721 0.78 MAOA (0.47) MAOAMAOBBCHEACHECHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-1016670-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-09-03 EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 US disclosed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 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 (2 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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 MAOA 2676/4885MAOB 2945/4885BCHE 1550/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS MAOA 4420/4885MAOB 3692/4885BCHE 1201/4885

“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.