SCHEMBL12426475

SCHEMBL12426475

CCCN(CCC)CCCCN(CCC(=O)OC)Cc1ccc(CN=Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.39
ACHE P22303 5/20 0.39
RORC P51449 1/20 0.39
ICMT O60725 1/20 0.38
ALB P02768 1/20 0.38
CA2 P00918 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
ACKR3 P25106 1/20 0.38
CA1 P00915 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL15162785 0.92 LTA4H (0.42) BCHEACHECA2CA1SMN1; SMN2
SCHEMBL15162786 0.92 LTA4H (0.42) BCHEACHECA2CA1SMN1; SMN2
SCHEMBL12426457 0.90 MEP1B (0.40) BCHEACHEHDAC3HDAC1HDAC2
SCHEMBL2202511 0.87 CA2 (0.41) BCHEACHERORCCA2HDAC3
SCHEMBL12426408 0.84 LTA4H (0.41) BCHEACHERORCCA2CA1
SCHEMBL2203825 0.84 TSHR (0.44) BCHEACHERORCCA2CA1
SCHEMBL2201935 0.81 MEP1B (0.41) BCHEACHE
SCHEMBL1638259 0.78 HRH3 (0.43) RORCACKR3SMN1; SMN2
SCHEMBL2203829 0.77 BCHE (0.38) BCHEACHERORCCA2HDAC3
SCHEMBL2203823 0.77 BCHE (0.38) BCHEACHERORCCA2HDAC3

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 BCHE 235/4885ACHE 2997/4885RORC 4375/4885

“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.