SCHEMBL5388259

SCHEMBL5388259

N[C@@H]1C[C@H](N)CN(c2nc(NNc3ccc(C(F)(F)F)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 9/20 0.44
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MAPT P10636 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MCHR1 Q99705 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SCN9A Q15858 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33

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
SCHEMBL5384763 0.85 IDH2 (0.59) IDH2MAPT
SCHEMBL5387483 0.85 MAPT (0.41) IDH2CHRNB4CHRNA3CTSSCTSK
SCHEMBL5381111 0.84 MEN1 (0.41) IDH2CHRNB4CHRNA3CA1CA2
SCHEMBL5380938 0.83 LMNA (0.44) IDH2CHRNB4CHRNA3MAPTCA1
SCHEMBL5387045 0.82 LMNA (0.44) IDH2MAPTCA1CA2
SCHEMBL14428527 0.81 IDH2 (0.42) IDH2MAPTCA1CA2SCN9A
SCHEMBL5383900 0.81 APP (0.45) IDH2
SCHEMBL5377934 0.80 MEN1 (0.47) CHRNB4CHRNA3CTSSCTSKMAPT
SCHEMBL5453080 0.80 MEN1 (0.47) CHRNB4CHRNA3CTSSCTSKMAPT
SCHEMBL14503784 0.79 MAPT (0.56) IDH2CTSSCTSKMAPTTRPV1

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 IDH2 3327/4885CHRNB4 4842/4885CHRNA3 4627/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD IDH2 3493/4885CHRNB4 4864/4885CHRNA3 4713/4885

“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.