SCHEMBL2200327

SCHEMBL2200327

CCCN(CCC)CCCCN(Cc1ccc(CN=Cc2ccc(OC)cc2)cc1)C(C)OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
G6PC1 P35575 1/20 0.34
KDM4E B2RXH2 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TSPO P30536 1/20 0.33

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
SCHEMBL2200323 1.00 MAOA (0.36) MAOAMAOBTDP1G6PC1KDM4E
SCHEMBL2203829 0.90 BCHE (0.38) BCHEACHECA1CA2
SCHEMBL2203823 0.90 BCHE (0.38) BCHEACHECA1CA2
SCHEMBL2200325 0.82 MAOA (0.40) MAOAMAOBTDP1BCHEACHE
SCHEMBL2205028 0.81 ALDH1A1 (0.42) KDM4ELMNAALDH1A1CA1CA2
SCHEMBL2205034 0.81 ALDH1A1 (0.42) KDM4ELMNAALDH1A1CA1CA2
SCHEMBL2201740 0.80 CXCR4 (0.37)
SCHEMBL2201746 0.80 CXCR4 (0.37)
SCHEMBL2201935 0.80 MEP1B (0.41) MAOAMAOBTDP1G6PC1KDM4E
SCHEMBL12426457 0.79 MEP1B (0.40) MAOAMAOBTDP1G6PC1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 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-20080293951-A1 Amin Derivative, and Production Method and Use Thereof BCAT2, BCAT1, MRPL9 MAOA 632/4885MAOB 311/4885TDP1 2877/4885

“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.