SCHEMBL2303909

SCHEMBL2303909

FC(F)(F)c1ccc(-c2nc([C@H]3CCCCN3)cs2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.49
IRAK4 Q9NWZ3 1/20 0.39
TRPV3 Q8NET8 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PAX8 Q06710 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 4/20 0.37
PIK3CA P42336 3/20 0.37
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2303917 1.00 CPT1A (0.49) CPT1AIRAK4TRPV3MEN1KMT2A
SCHEMBL2311565 0.82 CPT2 (0.47) CPT1AMEN1KMT2ACYP2D6CYP2C19
SCHEMBL2311560 0.82 CPT2 (0.47) CPT1AMEN1KMT2ACYP2D6CYP2C19
SCHEMBL2307997 0.79 CYP19A1 (0.50) CPT1AIRAK4MAPK1KCNH2CYP2A6
SCHEMBL2308004 0.79 CYP19A1 (0.50) CPT1AIRAK4MAPK1KCNH2CYP2A6
SCHEMBL2310395 0.79 KDM4E (0.46) CPT1AMEN1KMT2ACYP2D6CYP2C19
SCHEMBL2310391 0.79 KDM4E (0.46) CPT1AMEN1KMT2ACYP2D6CYP2C19
SCHEMBL2307100 0.78 CPT2 (0.48) CPT1AIRAK4MEN1KMT2AGAA
SCHEMBL2307105 0.78 CPT2 (0.48) CPT1AIRAK4MEN1KMT2AGAA
SCHEMBL2306060 0.76 SMN1; SMN2 (0.44) CPT1AMEN1KMT2AMAPTCYP2D6

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 CPT1A 1/4885IRAK4 2517/4885TRPV3 2493/4885

“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.