SCHEMBL2200325

SCHEMBL2200325

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MIF P14174 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL2203825 0.89 TSHR (0.44) TSHRBCHEACHE
SCHEMBL2201935 0.86 MEP1B (0.41) MAOAMAOBTSHRTDP1BCHE
SCHEMBL12426457 0.85 MEP1B (0.40) MAOAMAOBTDP1MIFBCHE
SCHEMBL12426453 0.85 ALDH1A1 (0.39) MAOAMAOBTDP1MIFBCHE
SCHEMBL2200323 0.82 MAOA (0.36) MAOAMAOBTDP1BCHEACHE
SCHEMBL2200327 0.82 MAOA (0.36) MAOAMAOBTDP1BCHEACHE
SCHEMBL2205031 0.79 ALDH1A1 (0.41) TSHR
SCHEMBL2201743 0.79 CXCR4 (0.39) TSHRBCHE
SCHEMBL4951610 0.78 MAOA (0.44) MAOAMAOBTDP1MIF
SCHEMBL2202944 0.78 CXCR4 (0.40) TSHRBCHE

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 311/4885TSHR 2682/4885

“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.