SCHEMBL6498214

SCHEMBL6498214

O=C(NC1CC2CC1CN2)c1ccc(Br)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 4/20 0.45
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ESR1 P03372 1/20 0.43
POLB P06746 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MITF O75030 1/20 0.39
HTT P42858 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
SCHEMBL6494461 0.84 F10 (0.48) HPGD
SCHEMBL6500073 0.84 NPC1 (0.49) HPGDALDH1A1TDP1POLBCHRNB2
SCHEMBL6486616 0.81 CHRNA7 (0.58) HPGDALDH1A1RXFP1KDM4EPOLB
SCHEMBL6498888 0.79 ESRRG (0.55) ESR1CHRNA7
SCHEMBL6485603 0.78 KDM4E (0.51) HPGDALDH1A1KDM4EESR1CHRNA7
SCHEMBL6501624 0.78 RXFP1 (0.47) HPGDALDH1A1GAARXFP1KDM4E
SCHEMBL6487416 0.78 CHRNA7 (0.47) HPGDALDH1A1KDM4EESR1CHRNA7
SCHEMBL6499988 0.78 CHRNA7 (0.47) ESR1CHRNA7
SCHEMBL6485554 0.78 CHRNA7 (0.46) HPGDKDM4EESR1CHRNA7NPC1
SCHEMBL6488734 0.78 CCNE1 (0.35) CHRNB2CHRNA4SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 HPGD 706/4885ALDH1A1 625/4885TDP1 1211/4885

“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.