SCHEMBL6487638

SCHEMBL6487638

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ccc(-c2ccccc2)o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.52
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
S1PR4 O95977 1/20 0.43

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
SCHEMBL6487632 1.00 CHRNA7 (0.52) CHRNA7NPC1RAB9AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL6498749 0.99 CHRNA7 (0.51) CHRNA7NPC1RAB9AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL6498741 0.99 CHRNA7 (0.51) CHRNA7NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6490515 0.90 CHRNA7 (0.51) CHRNA7NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6490510 0.90 CHRNA7 (0.51) CHRNA7NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6500084 0.89 CHRNA7 (0.50) CHRNA7NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6497302 0.89 CHRNA7 (0.65) CHRNA7NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6487071 0.89 CHRNA7 (0.50) CHRNA7NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6487083 0.89 CHRNA7 (0.50) CHRNA7NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6487314 0.89 CHRNA7 (0.50) CHRNA7NPC1RAB9AL3MBTL1ALDH1A1

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 CHRNA7 1097/4885NPC1 224/4885RAB9A 1437/4885

“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.