SCHEMBL5216163

SCHEMBL5216163

O=C(/C=C/N1CCC[C@H]1CN1CCCC1)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
ALOX12 P18054 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
HRH3 Q9Y5N1 7/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KCNH2 Q12809 2/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5222144 1.00 NPC1 (0.46) NPC1RAB9ATHRBALDH1A1LMNA
SCHEMBL5223808 0.99 ALDH1A1 (0.45) NPC1RAB9ATHRBALDH1A1LMNA
SCHEMBL5221237 0.98 NPC1 (0.46) NPC1RAB9ATHRBALDH1A1LMNA
SCHEMBL5221259 0.88 HRH3 (0.55) NPC1ALDH1A1CHRNB2CHRNA7CHRNA4
SCHEMBL5220645 0.88 HRH3 (0.44) THRBALDH1A1HRH3KCNH2KDM4E
SCHEMBL5222690 0.87 HRH3 (0.44) HRH3KCNH2KDM2B
SCHEMBL5958398 0.87 HRH3 (0.54) ALDH1A1CHRNB2CHRNA7CHRNA4HRH3
SCHEMBL5221464 0.86 ALDH1A1 (0.47) RAB9ATHRBALDH1A1LMNAHRH3
SCHEMBL5218209 0.86 HRH3 (0.56) NPC1RAB9AALDH1A1USP2ALOX12
SCHEMBL5218192 0.85 HRH3 (0.52) NPC1ALDH1A1CHRNB2CHRNA7CHRNA4

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 NPC1 2471/4885RAB9A 997/4885THRB 835/4885

“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.