SCHEMBL5217783

SCHEMBL5217783

CC(C)(C)c1ccc(C(=O)/C=C/N2CCC[C@H]2CN2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
KCNH2 Q12809 2/20 0.44
MET P08581 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
OPRD1 P41143 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 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
SCHEMBL5218926 0.89 HRH3 (0.57) HRH3KCNH2MEN1KMT2AOPRD1
SCHEMBL5216534 0.89 HRH3 (0.57) HRH3KCNH2MEN1KMT2AOPRD1
SCHEMBL5219929 0.88 HRH3 (0.56) HRH3KCNH2MEN1KMT2AOPRD1
SCHEMBL5218576 0.88 HRH3 (0.56) HRH3KCNH2MEN1KMT2AOPRD1
SCHEMBL5220594 0.86 OPRD1 (0.55) HRH3KCNH2MEN1KMT2AOPRD1
SCHEMBL5216163 0.85 NPC1 (0.46) HRH3KCNH2NPC1RAB9AALDH1A1
SCHEMBL5221259 0.85 HRH3 (0.55) HRH3KCNH2NPC1OPRD1ALDH1A1
SCHEMBL5220645 0.85 HRH3 (0.44) HRH3KCNH2ALDH1A1KDM4E
SCHEMBL5222144 0.85 NPC1 (0.46) HRH3KCNH2NPC1RAB9AALDH1A1
SCHEMBL5221318 0.84 HRH3 (0.52) HRH3MEN1KMT2AALDH1A1KDM4E

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 3 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
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HIGH POINT PHARMACEUTICALS, LLC 2003-10-16 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 (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 294/4885MET 963/4885

“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.