SCHEMBL5216873

SCHEMBL5216873

CCOc1ccc(Br)cc1C(=O)/C=C/N1CCC[C@H]1CN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
AR P10275 1/20 0.42
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
CCR5 P51681 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5225227 0.81 HRH3 (0.38) DRD2HRH3LMNA
SCHEMBL6623820 0.81 HRH3 (0.38) DRD2HRH3LMNA
SCHEMBL5221464 0.79 ALDH1A1 (0.47) HRH3MEN1KMT2ALMNAALDH1A1
SCHEMBL5222144 0.78 NPC1 (0.46) HRH3LMNAALDH1A1KDM4ERAB9A
SCHEMBL5216163 0.78 NPC1 (0.46) HRH3LMNAALDH1A1KDM4ERAB9A
SCHEMBL5218303 0.78 ALDH1A1 (0.49) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL2833290 0.77 AR (0.44) ARMEN1KMT2ALMNAALDH1A1
SCHEMBL5223808 0.77 ALDH1A1 (0.45) HRH3MEN1KMT2ALMNAALDH1A1
SCHEMBL2829282 0.77 AR (0.44) ARMEN1KMT2ALMNAALDH1A1
SCHEMBL5218173 0.76 HRH3 (0.43) HRH3KMT2ALMNAALDH1A1

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 5 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
EP-1474419-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HIGH POINT PHARMACEUTICALS, LLC 2003-10-16 US disclosed
WO-2003064411-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2003-08-07 WO 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 DRD2 73/4885HRH3 1/4885AR 831/4885

“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.