SCHEMBL2306380

SCHEMBL2306380

c1cncc(-c2nc(C3CCCCN3)cs2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
CHRNB2 P17787 2/20 0.56
CHRNA7 P36544 2/20 0.56
CHRNA4 P43681 2/20 0.56
CYP2A6 P11509 2/20 0.56
CYP2C9 P11712 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP19A1 P11511 4/20 0.54
AXL P30530 1/20 0.54
PBRM1 Q86U86 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51

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
SCHEMBL2306373 1.00 MEN1 (0.56) MEN1KMT2ACYP2D6CYP2C19CHRNB2
SCHEMBL2306066 0.85 SMN1; SMN2 (0.44) MEN1KMT2ACYP2D6CYP2C19CHRNB2
SCHEMBL2306060 0.85 SMN1; SMN2 (0.44) MEN1KMT2ACYP2D6CYP2C19CHRNB2
SCHEMBL6719920 0.81 CYP19A1 (0.59) MEN1KMT2ACYP2A6CYP2C9SMN1; SMN2
SCHEMBL2311565 0.81 CPT2 (0.47) MEN1KMT2ACYP2D6CYP2C19CHRNB2
SCHEMBL2311560 0.81 CPT2 (0.47) MEN1KMT2ACYP2D6CYP2C19CHRNB2
SCHEMBL6650834 0.80 CYP19A1 (0.60) MEN1KMT2ACYP2A6CYP2C9SMN1; SMN2
SCHEMBL2308500 0.80 MEN1 (0.56) MEN1KMT2ACYP2D6CYP2C19CHRNB2
SCHEMBL2308497 0.80 MEN1 (0.56) MEN1KMT2ACYP2D6CYP2C19CHRNB2
SCHEMBL2304260 0.79 MEN1 (0.44) MEN1KMT2ACYP2D6CYP2C19CHRNB2

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 MEN1 4098/4885KMT2A 1708/4885CYP2D6 1066/4885

“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.