SCHEMBL6489819

SCHEMBL6489819

CC1CC2CCN1C[C@@H]2NC(=O)c1ccc(Br)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
CHRNA7 P36544 2/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
POLB P06746 3/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
MCL1 Q07820 1/20 0.41
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL6496731 0.88 CHRNA7 (0.42) ALDH1A1TSHRCHRNA7CHRNB2CHRNA4
SCHEMBL6498593 0.87 SMN1; SMN2 (0.49) MEN1KMT2AHPGDALDH1A1CHRNA7
SCHEMBL6497753 0.82 ALDH1A1 (0.52) MEN1KMT2AALDH1A1CHRNA7CHRNB2
SCHEMBL6495229 0.81 ALDH1A1 (0.53) MEN1KMT2AHPGDALDH1A1CHRNA7
SCHEMBL6500481 0.81 ALDH1A1 (0.53) MEN1KMT2AHPGDALDH1A1CHRNA7
SCHEMBL6489020 0.81 ALDH1A1 (0.52) MEN1KMT2AHPGDALDH1A1CHRNA7
SCHEMBL6500448 0.81 ALDH1A1 (0.52) MEN1KMT2AHPGDALDH1A1CHRNA7
SCHEMBL6499492 0.81 NPC1 (0.54) MEN1KMT2AHPGDALDH1A1NPC1
SCHEMBL4207672 0.80 CHRNA7 (0.61) MEN1KMT2AHPGDALDH1A1TSHR
SCHEMBL4207670 0.80 CHRNA7 (0.61) MEN1KMT2AHPGDALDH1A1TSHR

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 MEN1 1004/4885KMT2A 3836/4885HPGD 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.