SCHEMBL5215698

SCHEMBL5215698

O=C(/C=C/N1CCC[C@@H]1CN1CCCCC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.58
KDM2B Q8NHM5 1/20 0.46
EPHX2 P34913 7/20 0.44
KCNH2 Q12809 1/20 0.41
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.39
PREP P48147 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CHRM4 P08173 1/20 0.38
EPHX1 P07099 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
SCHEMBL5218106 1.00 HRH3 (0.58) HRH3KDM2BEPHX2KCNH2KMT2A
SCHEMBL5220021 0.99 HRH3 (0.59) HRH3KDM2BEPHX2KCNH2KMT2A
SCHEMBL5223513 0.87 HRH3 (0.51) HRH3KDM2BEPHX2KCNH2
SCHEMBL5219929 0.86 HRH3 (0.56) HRH3KDM2BEPHX2KCNH2KMT2A
SCHEMBL5218576 0.86 HRH3 (0.56) HRH3KDM2BEPHX2KCNH2KMT2A
SCHEMBL5224167 0.86 HRH3 (0.51) HRH3KDM2BKMT2AKDM4EALDH1A1
SCHEMBL5216534 0.85 HRH3 (0.57) HRH3KDM2BEPHX2KCNH2KMT2A
SCHEMBL5218926 0.85 HRH3 (0.57) HRH3KDM2BEPHX2KCNH2KMT2A
SCHEMBL5221318 0.85 HRH3 (0.52) HRH3KDM2BKMT2AKDM4EALDH1A1
SCHEMBL5220645 0.83 HRH3 (0.44) HRH3KCNH2KDM4EALDH1A1

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 1/4885KDM2B 770/4885EPHX2 1056/4885

“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.