SCHEMBL5387983

SCHEMBL5387983

N[C@@H]1C[C@H](N)CN(c2nc(N3CCC4(CC3)OCCO4)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.37
TACR2 P21452 1/20 0.35
LGMN Q99538 1/20 0.34
ALDH1A1 P00352 7/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 3/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 5/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPK1 P28482 2/20 0.31
PIK3CB P42338 1/20 0.31
HCRTR1 O43613 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 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
SCHEMBL5392524 0.80 HTT (0.50) ALDH1A1SMN1; SMN2KDM4EHTTHSD17B10
SCHEMBL6987180 0.76 PTPN11 (0.42) PTPN11TACR2LGMNALDH1A1MAPT
SCHEMBL5383311 0.75 HRH4 (0.40) PTPN11TSHRKMT2APIK3CB
SCHEMBL5424807 0.73 HRH1 (0.57) ALDH1A1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL4557553 0.73 TACR2 (0.40) PTPN11TACR2LGMNALDH1A1MAPT
SCHEMBL5401329 0.72 HRH4 (0.44) TSHRKMT2A
SCHEMBL14503441 0.71 SMPD3 (0.36) KDM4EHSD17B10TSHRHPGD
SCHEMBL5378356 0.71 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EHTT
SCHEMBL5391907 0.71 SMPD3 (0.36) KDM4EHSD17B10TSHRHPGD
SCHEMBL5383240 0.71 HRH3 (0.42)

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 PTPN11 3419/4885TACR2 4171/4885LGMN 1171/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD PTPN11 3806/4885TACR2 3587/4885LGMN 2103/4885

“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.