SCHEMBL2307100

SCHEMBL2307100

FC(F)(F)c1ccc(-c2nc([C@H]3CCCCN3)cs2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.48
CPT1A P50416 1/20 0.48
IRAK4 Q9NWZ3 2/20 0.38
NPSR1 Q6W5P4 2/20 0.36
LTA4H P09960 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PAX8 Q06710 1/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL2307105 1.00 CPT2 (0.48) CPT2CPT1AIRAK4NPSR1LTA4H
SCHEMBL31664272 0.81 LTA4H (0.43) NPSR1LTA4HMEN1KMT2AGAA
SCHEMBL23891929 0.81 LTA4H (0.43) NPSR1LTA4HMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL31137500 0.79 LTA4H (0.42) NPSR1LTA4HMEN1KMT2AGAA
SCHEMBL2303909 0.78 CPT1A (0.49) CPT2CPT1AIRAK4NPSR1MEN1
SCHEMBL2303917 0.78 CPT1A (0.49) CPT2CPT1AIRAK4NPSR1MEN1
SCHEMBL19580371 0.76 CHRNB2 (0.41) IRAK4LTA4HMEN1KMT2ACYP2D6
SCHEMBL2307728 0.76 PDE10A (0.49) CPT1AMEN1KMT2AMAPTMAPK1
SCHEMBL2307731 0.76 PDE10A (0.49) CPT1AMEN1KMT2AMAPTMAPK1
SCHEMBL2304256 0.74 MEN1 (0.44) CPT2CPT1AMEN1KMT2ACYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039487-B2 Piperidine-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
EP-2155738-B1 PIPERIDINE-AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-03 EP disclosed
EP-2155738-A1 PIPERIDINE-AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2008-12-04 US disclosed
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO 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-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES CPT1A, CPT1B, CPT2 CPT2 3/4885CPT1A 1/4885IRAK4 2517/4885

“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.