SCHEMBL12426503

SCHEMBL12426503

CCCN(CCC)CCCCN(CC(=O)OCc1ccccc1)Cc1ccc(CN)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.47
RORC P51449 1/20 0.43
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA4 P22748 2/20 0.41
ACKR3 P25106 1/20 0.41
ACHE P22303 1/20 0.40

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
SCHEMBL1638251 0.87 DRD2 (0.40) BCHERORCCA1CA2ACHE
SCHEMBL12509872 0.85 LMNA (0.41)
SCHEMBL1638613 0.83 LOXL2 (0.41) RORC
SCHEMBL19631329 0.79 HDAC3 (0.47) BCHECA1CA2L3MBTL1CA4
SCHEMBL25259191 0.79 ALDH1A1 (0.49) BCHEL3MBTL1ACHE
SCHEMBL22778380 0.79 ALDH1A1 (0.49) CA1CA2L3MBTL1CA4ACKR3
SCHEMBL4847536 0.79 RORC (0.50) BCHERORCL3MBTL1ACHE
SCHEMBL19862468 0.78 ALOX5 (0.51) BCHEL3MBTL1
SCHEMBL7571319 0.77 ALDH1A1 (0.59) CA1CA2L3MBTL1CA4
SCHEMBL12426460 0.77 BCHE (0.37) BCHERORC

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 BCHE 235/4885RORC 4375/4885CA1 3598/4885

“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.