SCHEMBL9964729

SCHEMBL9964729

CN1C(=O)CCc2c1ccc1c2C[C@H]2[C@H](Cn3ccnn3)OC(=O)N12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.36
MAOB P27338 1/20 0.36
KCNH2 Q12809 2/20 0.34
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 1/20 0.31
BRD4 O60885 1/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL14069668 1.00 MAOA (0.36) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL9964759 0.91 MAOA (0.36) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL9964727 0.84 MAOA (0.35) MAOAMAOBKCNH2HTR1AHTR1D
SCHEMBL9964718 0.84 MAOA (0.37) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL9964732 0.83 MAOA (0.36) MAOAMAOBKCNH2
SCHEMBL14069453 0.81 BRD4 (0.32) BRD4
SCHEMBL9964757 0.80 MAOA (0.36) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL9964762 0.78 MAOA (0.35) MAOAMAOBKCNH2
SCHEMBL9964756 0.77 MAOA (0.38) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL14069246 0.76 MAOA (0.41) MAOAMAOBKCNH2CYP3A4CYP2D6

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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 MAOA 1058/4885MAOB 761/4885KCNH2 1295/4885

“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.