SCHEMBL2204034

SCHEMBL2204034

CCCN(CCC)CCCC(N)Cc1ccc(CN=Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
CA1 P00915 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
CSNK1E P49674 1/20 0.34
SIGMAR1 Q99720 5/20 0.34
EPHX1 P07099 1/20 0.33
BCHE P06276 5/20 0.33
ACHE P22303 4/20 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
SCHEMBL2201870 0.78 KMT2A (0.35)
SCHEMBL4947145 0.77 CA2 (0.42) CA2CA1SMN1; SMN2SIGMAR1BCHE
SCHEMBL2201909 0.76 CXCR4 (0.34)
SCHEMBL2201911 0.76 CXCR4 (0.34)
SCHEMBL2204036 0.76 CA2 (0.41) CA2CA1SMN1; SMN2SIGMAR1
SCHEMBL2204041 0.75 CXCR4 (0.41) CA2CA1SMN1; SMN2SIGMAR1
SCHEMBL4947147 0.73 CA2 (0.40) CA2CA1SMN1; SMN2SIGMAR1BCHE
SCHEMBL2202511 0.73 CA2 (0.41) CA2CA1SMN1; SMN2BCHEACHE
SCHEMBL12426408 0.70 LTA4H (0.41) CA2CA1SMN1; SMN2BCHEACHE
SCHEMBL2202381 0.70 CYP1A2 (0.40) CA2CA1SMN1; SMN2

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 CA2 1761/4885CA1 3598/4885SMN1; SMN2 3667/4885

“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.