SCHEMBL14428334

SCHEMBL14428334

N[C@@H]1C[C@H](N)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HTR2C P28335 1/20 0.49
ALDH1A1 P00352 2/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
GRIN2B Q13224 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
P2RX4 Q99571 1/20 0.46
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45

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
SCHEMBL16653836 1.00 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL15379354 0.94 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL376629 0.92 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL23186218 0.90 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL2378732 0.90 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL28557719 0.90 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL23186133 0.90 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL2379232 0.90 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL13330343 0.90 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL28429589 0.90 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 SMN1; SMN2 3797/4885CYP2C19 979/4885NPC1 3226/4885

“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.