SCHEMBL5386784

SCHEMBL5386784

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
HRH4 Q9H3N8 2/20 0.31
CAMK1D Q8IU85 3/20 0.30
NPSR1 Q6W5P4 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) ALDH1A1LMNAHTTHRH3CAMK1D
SCHEMBL5383937 0.78 HTR2C (0.35) ALDH1A1LMNAHPGDHRH3CAMK1D
SCHEMBL5391106 0.78 NPSR1 (0.38) ALDH1A1LMNAHTTHRH3HRH4
SCHEMBL5380895 0.76 TSHR (0.34) ALDH1A1LMNAHRH3HRH4CAMK1D
SCHEMBL5380621 0.75 ADRA1D (0.31)
SCHEMBL5378356 0.74 ALDH1A1 (0.46) ALDH1A1HTTHPGDNPSR1
SCHEMBL5383240 0.74 HRH3 (0.42) HRH3HRH4
SCHEMBL5388227 0.72 ALDH1A1 (0.40) ALDH1A1HTTCAMK1D
SCHEMBL5385029 0.72 HRH4 (0.40) HRH3HRH4CAMK1D
SCHEMBL5381097 0.72 PTPN11 (0.33) HRH3CAMK1D

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 ALDH1A1 2233/4885LMNA 4065/4885HTT 949/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD ALDH1A1 2096/4885LMNA 4008/4885HTT 516/4885

“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.