SCHEMBL6490145

SCHEMBL6490145

O=C(NC1CC2CC1CN2)c1ccc(Br)o1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
HPGD P15428 5/20 0.51
ALDH1A1 P00352 5/20 0.50
TSHR P16473 1/20 0.50
CHRNB2 P17787 4/20 0.46
CHRNA4 P43681 4/20 0.46
CHRNB4 P30926 3/20 0.46
CHRNA3 P32297 3/20 0.46
CHRNA7 P36544 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6488105 0.87 CHRNB2 (0.46) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL6494474 0.84 HPGD (0.50) KMT2AHPGDALDH1A1TSHRCHRNB2
SCHEMBL6489856 0.81 ERCC5 (0.45) KMT2AMEN1HPGDALDH1A1CHRNB2
SCHEMBL6485912 0.79 ALDH1A1 (0.43) KMT2AMEN1HPGDALDH1A1CHRNB2
SCHEMBL6498429 0.78 RAB9A (0.40) KMT2AMEN1HPGDALDH1A1NPC1
SCHEMBL6489862 0.78 NPC1 (0.56) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL6486556 0.78 ALDH1A1 (0.42) KMT2AMEN1HPGDALDH1A1CHRNB2
SCHEMBL6502351 0.78 ALDH1A1 (0.52) KMT2AMEN1HPGDALDH1A1NPC1
SCHEMBL6489595 0.78 MMP13 (0.43) KMT2AMEN1HPGDALDH1A1NPC1
SCHEMBL6488977 0.77 ALDH1A1 (0.53) 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 8 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
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 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.