SCHEMBL12426460

SCHEMBL12426460

CCCN(CCC)CCCCN(CC(=O)OCc1ccccc1)Cc1ccc(CN=Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.37
RORC P51449 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PPARG P37231 4/20 0.35
PSEN1 P49768 2/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARA Q07869 3/20 0.34
TSHR P16473 1/20 0.34
MTOR P42345 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A9 P48067 1/20 0.34

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
SCHEMBL12509871 0.89 RORC (0.37) BCHERORCPPARGPPARA
SCHEMBL12426408 0.85 LTA4H (0.41) BCHERORCPPARGPPARA
SCHEMBL2201883 0.79 RORC (0.32) RORCTMEM97SIGMAR1GRIN1GRIN2B
SCHEMBL12426453 0.78 ALDH1A1 (0.39) BCHEPPARG
SCHEMBL2201884 0.78 SLC6A9 (0.35) BCHERORCTMEM97SIGMAR1PPARG
SCHEMBL12426503 0.77 BCHE (0.47) BCHERORC
SCHEMBL15162785 0.76 LTA4H (0.42) BCHEALOX5KMT2A
SCHEMBL15162786 0.76 LTA4H (0.42) BCHEALOX5KMT2A
SCHEMBL4951871 0.75 CA2 (0.38) BCHERORCGRIN1GRIN2B
SCHEMBL4954388 0.75 CA2 (0.38) BCHERORCGRIN1GRIN2BKMT2A

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 4375/4885TMEM97 3055/4885

“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.