SCHEMBL2311565

SCHEMBL2311565

Cc1ccc(-c2nc(C3CCCCN3)cs2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 2/20 0.47
CPT1A P50416 2/20 0.47
CPT1B Q92523 1/20 0.47
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2A6 P11509 2/20 0.39
CYP2C9 P11712 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
AURKA O14965 1/20 0.37
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP19A1 P11511 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
SCHEMBL2311560 1.00 CPT2 (0.47) CPT2CPT1ACPT1BMEN1CYP2D6
SCHEMBL2308004 0.84 CYP19A1 (0.50) CPT2CPT1ACPT1BCYP2A6CYP19A1
SCHEMBL2307997 0.84 CYP19A1 (0.50) CPT2CPT1ACPT1BCYP2A6CYP19A1
SCHEMBL2303917 0.82 CPT1A (0.49) CPT2CPT1ACPT1BMEN1CYP2D6
SCHEMBL2303909 0.82 CPT1A (0.49) CPT2CPT1ACPT1BMEN1CYP2D6
SCHEMBL2306380 0.81 MEN1 (0.56) CPT1ACPT1BMEN1CYP2D6CYP2C19
SCHEMBL2306373 0.81 MEN1 (0.56) CPT1ACPT1BMEN1CYP2D6CYP2C19
SCHEMBL2310395 0.79 KDM4E (0.46) CPT1AMEN1CYP2D6CYP2C19KMT2A
SCHEMBL2310391 0.79 KDM4E (0.46) CPT1AMEN1CYP2D6CYP2C19KMT2A
SCHEMBL2306060 0.79 SMN1; SMN2 (0.44) CPT1AMEN1CYP2D6CYP2C19KMT2A

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
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO disclosed
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2008-12-04 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-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES CPT1A, CPT1B, CPT2 CPT2 3/4885CPT1A 1/4885CPT1B 2/4885

“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.