SCHEMBL5221244

SCHEMBL5221244

O=C(C=Cc1ccc(Br)cc1)N1CCCCC1CN1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.74
KCNH2 Q12809 1/20 0.70
GPR183 P32249 2/20 0.53
KMT2A Q03164 1/20 0.50
CCR2 P41597 1/20 0.47
OPRK1 P41145 2/20 0.46
OPRD1 P41143 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL14409597 1.00 HRH3 (0.74) HRH3KCNH2GPR183KMT2ACCR2
SCHEMBL5216166 0.98 HRH3 (0.78) HRH3KCNH2GPR183KMT2ACCR2
SCHEMBL5220708 0.98 HRH3 (0.78) HRH3KCNH2GPR183KMT2ACCR2
SCHEMBL14409433 0.98 HRH3 (0.78) HRH3KCNH2GPR183KMT2ACCR2
SCHEMBL5223811 0.96 HRH3 (0.77) HRH3KCNH2GPR183KMT2ACCR2
SCHEMBL5218197 0.88 HRH3 (0.95) HRH3KCNH2KMT2ACCR2OPRK1
SCHEMBL14409453 0.88 HRH3 (0.95) HRH3KCNH2KMT2ACCR2OPRK1
SCHEMBL5220654 0.85 HRH3 (0.78) HRH3KCNH2GPR183KMT2AOPRD1
SCHEMBL5221265 0.85 HRH3 (1.00) HRH3KCNH2KMT2ACCR2OPRK1
SCHEMBL14409351 0.85 HRH3 (0.78) HRH3KCNH2KMT2AOPRK1OPRD1

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 294/4885GPR183 364/4885

“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.