SCHEMBL5378481

SCHEMBL5378481

N[C@@H]1C[C@H](N)CN(c2nc(NCc3ccccc3-c3ccccc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
TPH1 P17752 1/20 0.41
GPR68 Q15743 3/20 0.39
ADORA2A P29274 2/20 0.39
HTR2B P41595 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRKCQ Q04759 1/20 0.38
BRD4 O60885 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
CFD P00746 1/20 0.37
HTR7 P34969 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL5384998 0.82 HTT (0.41) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5380660 0.82 HTT (0.53) HTTTPH1GPR68ALDH1A1LMNA
SCHEMBL5392983 0.82 MAPK1 (0.43) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5427702 0.82 HTT (0.41) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5378123 0.81 ACHE (0.46) HTTLMNA
SCHEMBL5401209 0.81 GAA (0.47) HTTADORA2AHDAC3HDAC1HDAC2
SCHEMBL14503870 0.80 NPSR1 (0.54) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5376405 0.78 PTPN11 (0.41) HTTALDH1A1PRKCQHTR7HTR1A
SCHEMBL14503580 0.77 GBA1 (0.45) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5383140 0.76 P2RX7 (0.39) HTTPRKCQCFD

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-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-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
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 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 (2 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 HTT 949/4885TPH1 1615/4885GPR68 3173/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD HTT 516/4885TPH1 901/4885GPR68 3650/4885

“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.