SCHEMBL5220948

SCHEMBL5220948

CCN(CC)CC1CCCN1C(=O)C=Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.70
KCNH2 Q12809 1/20 0.52
PTGS2 P35354 1/20 0.44
KMT2A Q03164 2/20 0.43
EPHX2 P34913 2/20 0.43
CA2 P00918 2/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
PREP P48147 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL14409466 1.00 HRH3 (0.70) HRH3KCNH2PTGS2KMT2AEPHX2
SCHEMBL5225111 0.87 HRH3 (0.69) HRH3KCNH2KMT2AGAAALDH1A1
SCHEMBL5220028 0.82 HRH3 (1.00) HRH3KCNH2PTGS2KMT2AEPHX2
SCHEMBL14409487 0.82 HRH3 (1.00) HRH3KCNH2PTGS2KMT2AEPHX2
SCHEMBL14409427 0.82 HRH3 (0.98) HRH3KCNH2PTGS2KMT2AEPHX2
SCHEMBL5215701 0.82 HRH3 (0.98) HRH3KCNH2PTGS2KMT2AEPHX2
SCHEMBL5218925 0.79 KMT2A (0.56) PTGS2KMT2AALDH1A1
SCHEMBL5220944 0.76 KDM2B (0.45) HRH3KMT2AEPHX2KDM2BPREP
SCHEMBL14409320 0.71 HRH3 (0.78) HRH3KCNH2KMT2A
SCHEMBL5223516 0.71 HRH3 (0.78) HRH3KCNH2KMT2A

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
EP-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed
US-7101898-B2 For therapy of allergic rhinitis, ulcer or anorexia, diabetes, Alzheimer's disease, narcolepsy or attention deficit disorder NOVO NORDISK A/S (DK) 2006-09-05 US disclosed
EP-1474419-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HIGH POINT PHARMACEUTICALS, LLC 2003-10-16 US disclosed
WO-2003064411-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2003-08-07 WO 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 (1 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-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HRH3, HRH2, HRH4 HRH3 1/4885KCNH2 294/4885PTGS2 968/4885

“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.