SCHEMBL5384046

SCHEMBL5384046

N[C@@H]1C[C@H](N)CN(c2nc(NCCc3ccccn3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.49
CYP1A2 P05177 1/20 0.45
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
PIK3CA P42336 4/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
APP P05067 2/20 0.40
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
DRD2 P14416 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL14504170 0.80 OGA (0.53) OGACYP1A2PIK3CAPIK3CBPIK3CG
SCHEMBL5452169 0.76 ROCK1 (0.48) LMNA
SCHEMBL5375711 0.74 LMNA (0.59) CYP1A2HRH3ESR1ESR2LMNA
SCHEMBL5376334 0.73 ALOX15 (0.52) PIK3CAESR2LMNATAAR1ALOX15
SCHEMBL5376397 0.72 TSHR (0.42) PIK3CAPIK3CBPIK3CGESR1ESR2
SCHEMBL5381179 0.72 DPP4 (0.48) ESR1ESR2CETP
SCHEMBL5380660 0.72 HTT (0.53) HRH3ESR1ESR2LMNAALDH1A1
SCHEMBL5392983 0.72 MAPK1 (0.43) HRH3LMNAALDH1A1
SCHEMBL5384998 0.72 HTT (0.41) PIK3CAPIK3CBHRH3LMNAALDH1A1
SCHEMBL5382947 0.72 RAD52 (0.53) OGACYP1A2JAK2PTK2

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 OGA 2816/4885CYP1A2 1210/4885HTR2C 2604/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD OGA 3530/4885CYP1A2 758/4885HTR2C 2005/4885

“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.