SCHEMBL6498722

SCHEMBL6498722

Nc1cccc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL6498717 1.00 CHRNA7 (0.48) CHRNA7NPC1RAB9ADRD2DRD4
SCHEMBL6491277 0.89 CHRNA7 (0.48) CHRNA7NPC1RAB9AALDH1A1KDM4E
SCHEMBL6491280 0.89 CHRNA7 (0.48) CHRNA7NPC1RAB9AALDH1A1KDM4E
SCHEMBL6495539 0.88 CHRNA7 (0.48) CHRNA7NPC1RAB9AALDH1A1KDM4E
SCHEMBL6496835 0.88 RAB9A (0.56) CHRNA7NPC1RAB9AALDH1A1KDM4E
SCHEMBL6496520 0.88 NR4A1 (0.49) CHRNA7NPC1RAB9ADRD2DRD4
SCHEMBL6496826 0.88 RAB9A (0.56) CHRNA7NPC1RAB9AALDH1A1KDM4E
SCHEMBL6496623 0.88 CHRNA7 (0.48) CHRNA7NPC1RAB9AALDH1A1KDM4E
SCHEMBL6496516 0.88 NR4A1 (0.49) CHRNA7NPC1RAB9ADRD2DRD4
SCHEMBL6500084 0.87 CHRNA7 (0.50) CHRNA7NPC1RAB9AALDH1A1KDM4E

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
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
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.