SCHEMBL6488541

SCHEMBL6488541

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ccc(Br)o1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
ALDH1A1 P00352 2/20 0.59
TSHR P16473 1/20 0.59
CHRNA7 P36544 7/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL6488534 1.00 HPGD (0.60) HPGDALDH1A1TSHRCHRNA7MEN1
SCHEMBL6497255 0.87 CHRNA7 (0.63) HPGDALDH1A1TSHRCHRNA7MEN1
SCHEMBL6497249 0.87 CHRNA7 (0.63) HPGDALDH1A1TSHRCHRNA7MEN1
SCHEMBL6486371 0.85 HPGD (0.59) HPGDALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL6486376 0.85 HPGD (0.59) HPGDALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL6487638 0.81 CHRNA7 (0.52) HPGDALDH1A1CHRNA7MEN1KMT2A
SCHEMBL6487632 0.81 CHRNA7 (0.52) HPGDALDH1A1CHRNA7MEN1KMT2A
Hydrochloric Acid SCHEMBL6498749 0.80 CHRNA7 (0.51) HPGDALDH1A1CHRNA7MEN1KMT2A
SCHEMBL6490515 0.80 CHRNA7 (0.51) HPGDALDH1A1CHRNA7MEN1KMT2A
SCHEMBL6490510 0.80 CHRNA7 (0.51) HPGDALDH1A1CHRNA7MEN1KMT2A

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
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
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 HPGD 706/4885ALDH1A1 625/4885TSHR 2905/4885

“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.