SCHEMBL12426408

SCHEMBL12426408

CCCN(CCC)CCCCN(CC(=O)OCC)Cc1ccc(CN=Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
BCHE P06276 6/20 0.40
ACHE P22303 5/20 0.40
CA2 P00918 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CA1 P00915 1/20 0.38
RORC P51449 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL15162786 0.91 LTA4H (0.42) LTA4HBCHEACHECA2CA1
SCHEMBL15162785 0.91 LTA4H (0.42) LTA4HBCHEACHECA2CA1
SCHEMBL12426453 0.89 ALDH1A1 (0.39) LTA4HBCHEACHEPPARG
SCHEMBL12509869 0.86 LTA4H (0.36) LTA4HBCHEACHEPPARGPPARA
SCHEMBL12426467 0.85 ALDH1A1 (0.43) CA2PPARGCA1SMN1; SMN2
SCHEMBL12426460 0.85 BCHE (0.37) BCHEPPARGPPARARORC
SCHEMBL12426475 0.84 BCHE (0.39) BCHEACHECA2CA1RORC
SCHEMBL2203825 0.84 TSHR (0.44) BCHEACHECA2CA1RORC
SCHEMBL2202511 0.84 CA2 (0.41) BCHEACHECA2CA1RORC
SCHEMBL12426479 0.82 CXCR4 (0.41) LTA4HBCHEACHEPPARGPPARA

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 4 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-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
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 LTA4H 645/4885BCHE 235/4885ACHE 2997/4885

“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.