SCHEMBL5380895

SCHEMBL5380895

CCN(CC)c1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAP3K12 Q12852 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
USP2 O75604 1/20 0.30
CAMK1D Q8IU85 1/20 0.30

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
SCHEMBL5382986 0.80 ALDH1A1 (0.39) TSHRSMN1; SMN2LMNAHRH3NPSR1
SCHEMBL5383937 0.78 HTR2C (0.35) TSHRTDP1LMNAHRH3MAPT
SCHEMBL5386784 0.76 ALDH1A1 (0.35) LMNAHRH3NPSR1ALDH1A1HRH4
SCHEMBL5375715 0.75 LMNA (0.44) TSHRTDP1SMN1; SMN2LMNAMAPT
SCHEMBL5392949 0.75 ESR1 (0.35) TSHRNPSR1
SCHEMBL5380621 0.75 ADRA1D (0.31)
SCHEMBL5391106 0.74 NPSR1 (0.38) TSHRSMN1; SMN2LMNAHRH3NPSR1
SCHEMBL5391025 0.74 ESR1 (0.34) MAPTALDH1A1CAMK1D
SCHEMBL5378356 0.74 ALDH1A1 (0.46) TSHRTDP1SMN1; SMN2POLBMAPT
SCHEMBL5383240 0.74 HRH3 (0.42) HRH3HRH4

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 7 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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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 TSHR 4325/4885TDP1 2209/4885SMN1; SMN2 3797/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD TSHR 3906/4885TDP1 1488/4885SMN1; SMN2 4041/4885

“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.