SCHEMBL6101110

SCHEMBL6101110

COc1ccnc(C(=O)N[C@@H]2C[C@H]3CCN(C3)C2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.61
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
KDR P35968 1/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
USP30 Q70CQ3 1/20 0.41
RIPK1 Q13546 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
GRM5 P41594 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
DRD4 P21917 1/20 0.39
SLC6A2 P23975 1/20 0.39
KCNH2 Q12809 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
SCHEMBL6101120 1.00 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4KDRNOS3
SCHEMBL6100217 0.94 CHRNA7 (0.54) CHRNA7CHRNB2CHRNA4KDRNOS3
SCHEMBL6098386 0.84 CHRNA7 (0.64) CHRNA7
SCHEMBL6098389 0.84 CHRNA7 (0.64) CHRNA7
SCHEMBL6100985 0.82 CHRNA7 (0.59) CHRNA7USP30SMYD3GRM5
SCHEMBL6100979 0.82 CHRNA7 (0.59) CHRNA7USP30SMYD3GRM5
SCHEMBL6099888 0.81 CHRNA7 (0.53) CHRNA7
SCHEMBL6099349 0.80 CHRNA7 (0.60) CHRNA7
SCHEMBL6100400 0.79 CHRNA7 (0.57) CHRNA7
SCHEMBL6099407 0.79 CHRNA7 (0.61) CHRNA7USP30SMYD3GRM5

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-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US claimed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP claimed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 CHRNA7 1836/4885CHRNB2 2627/4885CHRNA4 2863/4885

“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.