SCHEMBL9930490

SCHEMBL9930490

CN(C[C@@H]1OC(=O)N2c3ccc(C4CCSCC4)cc3C[C@@H]12)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR1D P28221 1/20 0.33
F10 P00742 2/20 0.31
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL9929913 0.88 IKBKE (0.32) IKBKETBK1HDAC1HDAC8HDAC6
SCHEMBL9930231 0.87
SCHEMBL9930034 0.82 MAOA (0.51) MAOAMAOBCYP2C19F10
SCHEMBL9930004 0.78 HTR1D (0.35) MAOAMAOBCYP2C19HTR1D
SCHEMBL9930066 0.76 MAOA (0.36) MAOAMAOB
SCHEMBL4554631 0.76 MAOA (0.36) MAOAMAOB
SCHEMBL9929662 0.73 MAOA (0.33) MAOAMAOBCYP2C19
SCHEMBL9964803 0.72 MAOA (0.44) MAOAMAOBCYP2C19F10
SCHEMBL9930234 0.72 MAOA (0.35) MAOAMAOBCYP2C19
SCHEMBL9930468 0.71

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 1 patent. 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

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 761/4885CYP2C19 47/4885

“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.