SCHEMBL5378356

SCHEMBL5378356

CC1CCN(c2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ACHE P22303 2/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5383311 0.87 HRH4 (0.40) TSHRKMT2AMEN1HTR3AADRA1D
SCHEMBL19038856 0.85 TSHR (0.51) ALDH1A1TSHRL3MBTL1SMN1; SMN2POLB
SCHEMBL5401329 0.83 HRH4 (0.44) TSHRKMT2AMEN1HTR3AADRA1D
SCHEMBL5383937 0.83 HTR2C (0.35) ALDH1A1TSHRL3MBTL1TDP1HPGD
SCHEMBL16280659 0.82 TSHR (0.60) ALDH1A1TSHRL3MBTL1SMN1; SMN2POLB
SCHEMBL5391907 0.82 SMPD3 (0.36) TSHRHPGDKDM4EHSD17B10NPSR1
SCHEMBL14503441 0.82 SMPD3 (0.36) TSHRHPGDKDM4EHSD17B10NPSR1
SCHEMBL5380543 0.81 KDM4E (0.40) ALDH1A1TSHRL3MBTL1SMN1; SMN2HPGD
SCHEMBL14428475 0.78 TSHR (0.38) TSHR
SCHEMBL5382986 0.78 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2MAPK1KDM4E

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 2233/4885TSHR 4325/4885L3MBTL1 2152/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD ALDH1A1 2096/4885TSHR 3906/4885L3MBTL1 2101/4885

“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.