SCHEMBL6486254

SCHEMBL6486254

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ccc(Br)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.60
ALDH1A1 P00352 1/20 0.60
CHRNA7 P36544 9/20 0.56
TDP1 Q9NUW8 2/20 0.53
POLB P06746 2/20 0.47
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ESR1 P03372 1/20 0.43
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCAT2 O15382 1/20 0.41

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
SCHEMBL6486253 1.00 HPGD (0.60) HPGDALDH1A1CHRNA7TDP1POLB
Hydrochloric Acid SCHEMBL6501516 0.99 ALDH1A1 (0.59) HPGDALDH1A1CHRNA7TDP1POLB
Hydrochloric Acid SCHEMBL6501512 0.99 ALDH1A1 (0.59) HPGDALDH1A1CHRNA7TDP1POLB
SCHEMBL6496960 0.85 CHRNA7 (0.63) HPGDALDH1A1CHRNA7HTTGAA
SCHEMBL6491651 0.85 NPC1 (0.58) HPGDALDH1A1CHRNA7HTR3EHTR3B
SCHEMBL6496958 0.85 CHRNA7 (0.63) HPGDALDH1A1CHRNA7HTTGAA
SCHEMBL6491649 0.85 NPC1 (0.58) HPGDALDH1A1CHRNA7HTR3EHTR3B
SCHEMBL6494734 0.81 ALDH1A1 (0.48) HPGDALDH1A1CHRNA7TDP1POLB
SCHEMBL6502083 0.81 CHRNA7 (0.65) HPGDALDH1A1CHRNA7KDM4EESR1
SCHEMBL6502079 0.81 CHRNA7 (0.65) HPGDALDH1A1CHRNA7KDM4EESR1

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 6 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
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO 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 625/4885CHRNA7 1097/4885

“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.