SCHEMBL2201935

SCHEMBL2201935

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
G6PC1 P35575 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL12426457 0.89 MEP1B (0.40) MEP1BTDP1MAOAMAOBG6PC1
SCHEMBL2202511 0.89 CA2 (0.41) BCHEACHE
SCHEMBL2200325 0.86 MAOA (0.40) TDP1MAOAMAOBBCHEACHE
SCHEMBL12426453 0.85 ALDH1A1 (0.39) KDM4ETDP1MAOAMAOBG6PC1
SCHEMBL12426475 0.81 BCHE (0.39) BCHEACHE
SCHEMBL2200323 0.80 MAOA (0.36) KDM4ETDP1MAOAMAOBG6PC1
SCHEMBL2200327 0.80 MAOA (0.36) KDM4ETDP1MAOAMAOBG6PC1
SCHEMBL4951610 0.80 MAOA (0.44) KDM4ETDP1MAOAMAOBG6PC1
SCHEMBL15162786 0.79 LTA4H (0.42) TDP1BCHEACHEALDH1A1
SCHEMBL15162785 0.79 LTA4H (0.42) TDP1BCHEACHEALDH1A1

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 MEP1B 748/4885KDM4E 1006/4885TDP1 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.