SCHEMBL5223513

SCHEMBL5223513

O=C(/C=C/N1CCC[C@H]1CN1CCCC1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.51
MAOB P27338 1/20 0.43
MCHR1 Q99705 1/20 0.42
HSD11B1 P28845 1/20 0.42
MGLL Q99685 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
KDM2B Q8NHM5 3/20 0.40
KCNH2 Q12809 1/20 0.40
NOTUM Q6P988 1/20 0.39
EPHX2 P34913 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CCR2 P41597 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
SCHEMBL5220021 0.88 HRH3 (0.59) HRH3HSD11B1KDM2BKCNH2EPHX2
SCHEMBL5215698 0.87 HRH3 (0.58) HRH3KDM2BKCNH2EPHX2
SCHEMBL5218106 0.87 HRH3 (0.58) HRH3KDM2BKCNH2EPHX2
SCHEMBL5219025 0.87 HRH3 (0.52) HRH3MAOBKDM2B
SCHEMBL5217223 0.85 HRH3 (0.52) HRH3MAOBKCNH2CCR2
SCHEMBL5220831 0.84 HRH3 (0.52) HRH3MAOBKCNH2
SCHEMBL5216086 0.83 GPR52 (0.43) HRH3KCNH2
SCHEMBL5217126 0.81 KDM2B (0.48) HRH3KDM2B
SCHEMBL5221464 0.81 ALDH1A1 (0.47) HRH3
SCHEMBL5218303 0.81 ALDH1A1 (0.49)

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 1/4885MAOB 1758/4885MCHR1 242/4885

“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.