SCHEMBL5221464

SCHEMBL5221464

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.43
NLRP3 Q96P20 1/20 0.43
L3MBTL3 Q96JM7 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MBTD1 Q05BQ5 2/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL5218303 0.99 ALDH1A1 (0.49) ALDH1A1GLAMAPTTHRBLMNA
SCHEMBL5217126 0.87 KDM2B (0.48) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL5216086 0.87 GPR52 (0.43) MAPTHTTRAB9ASMN1; SMN2HRH3
SCHEMBL5216163 0.86 NPC1 (0.46) ALDH1A1MAPTTHRBLMNAHTT
SCHEMBL5222144 0.86 NPC1 (0.46) ALDH1A1MAPTTHRBLMNAHTT
SCHEMBL5223808 0.85 ALDH1A1 (0.45) ALDH1A1MAPTTHRBLMNAHTT
SCHEMBL5219025 0.84 HRH3 (0.52) ALDH1A1MAPTLMNARAB9AL3MBTL1
SCHEMBL5217223 0.84 HRH3 (0.52) ALDH1A1LMNAGAAHPGDKMT2A
SCHEMBL5221237 0.84 NPC1 (0.46) ALDH1A1MAPTTHRBLMNAHTT
SCHEMBL5220831 0.83 HRH3 (0.52) ALDH1A1LMNAGAARAB9AHPGD

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 ALDH1A1 2049/4885GLA 4627/4885MAPT 3405/4885

“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.