SCHEMBL5216534

SCHEMBL5216534

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.57
KCNH2 Q12809 2/20 0.57
OPRD1 P41143 1/20 0.52
KDM2B Q8NHM5 2/20 0.47
BRD4 O60885 3/20 0.43
BRD2 P25440 3/20 0.43
BRD3 Q15059 3/20 0.43
BRDT Q58F21 3/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41

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 1.00 HRH3 (0.57) HRH3KCNH2OPRD1KDM2BBRD4
SCHEMBL5219929 0.99 HRH3 (0.56) HRH3KCNH2OPRD1KDM2BBRD4
SCHEMBL5218576 0.99 HRH3 (0.56) HRH3KCNH2OPRD1KDM2BBRD4
SCHEMBL5220594 0.98 OPRD1 (0.55) HRH3KCNH2OPRD1KDM2BBRD4
SCHEMBL5217783 0.89 HRH3 (0.44) HRH3KCNH2OPRD1MAPTMEN1
SCHEMBL5220645 0.87 HRH3 (0.44) HRH3KCNH2
SCHEMBL5217223 0.87 HRH3 (0.52) HRH3KCNH2OPRD1POLBHPGD
SCHEMBL5220831 0.86 HRH3 (0.52) HRH3KCNH2OPRD1POLBHPGD
SCHEMBL5220021 0.86 HRH3 (0.59) HRH3KCNH2KDM2BEPHX2KMT2A
SCHEMBL5215698 0.85 HRH3 (0.58) HRH3KCNH2KDM2BPOLBEPHX2

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 294/4885OPRD1 60/4885

“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.