SCHEMBL6488034

SCHEMBL6488034

O=C(NC1CC2CNC1C2)c1ccc(Br)o1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.50
CHRNB2 P17787 4/20 0.46
CHRNB4 P30926 4/20 0.46
CHRNA3 P32297 4/20 0.46
CHRNA4 P43681 4/20 0.46
CHRNA7 P36544 2/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6631927 0.90 HPGD (0.52) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL6498810 0.87 CHRNB2 (0.46) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL6486768 0.84 HPGD (0.50) HPGDALDH1A1TSHRCHRNB2CHRNB4
SCHEMBL6488167 0.80 S1PR4 (0.43) KMT2AMEN1HPGDALDH1A1CHRNB2
SCHEMBL6500809 0.79 NPC1 (0.43) KMT2AMEN1HPGDALDH1A1NPC1
SCHEMBL6497293 0.78 NPC1 (0.56) HPGDALDH1A1NPC1RAB9AMAPT
SCHEMBL6500583 0.78 NPC1 (0.42) KMT2AMEN1HPGDALDH1A1NPC1
SCHEMBL6501627 0.78 MMP13 (0.43) KMT2AMEN1HPGDALDH1A1NPC1
SCHEMBL6489260 0.78 ALDH1A1 (0.49) KMT2AMEN1HPGDALDH1A1NPC1
SCHEMBL6486252 0.77 RAB9A (0.41) KMT2AMEN1HPGDALDH1A1NPC1

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 KMT2A 3836/4885MEN1 1004/4885HPGD 706/4885

“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.