SCHEMBL5220645

SCHEMBL5220645

O=C(/C=C/N1CCC[C@H]1CN1CCCC1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
KCNH2 Q12809 2/20 0.42
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
TNFRSF1A P19438 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38

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
SCHEMBL5221259 0.88 HRH3 (0.55) HRH3KCNH2ALDH1A1
SCHEMBL5216163 0.88 NPC1 (0.46) HRH3KCNH2ALDH1A1KDM4ETHRB
SCHEMBL5222144 0.88 NPC1 (0.46) HRH3KCNH2ALDH1A1KDM4ETHRB
SCHEMBL5218926 0.87 HRH3 (0.57) HRH3KCNH2
SCHEMBL5216534 0.87 HRH3 (0.57) HRH3KCNH2
SCHEMBL5223808 0.87 ALDH1A1 (0.45) HRH3KCNH2ALDH1A1KDM4ETHRB
SCHEMBL5222690 0.87 HRH3 (0.44) HRH3KCNH2
SCHEMBL5958398 0.87 HRH3 (0.54) HRH3KCNH2ALDH1A1
SCHEMBL5216086 0.86 GPR52 (0.43) HRH3KCNH2
SCHEMBL5218576 0.86 HRH3 (0.56) HRH3KCNH2

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 1/4885CTSL 3289/4885CTSB 2112/4885

“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.