SCHEMBL843369

SCHEMBL843369

O=C(NC1CC2CNC1C2)c1cc2ncccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2C Q14957 1/20 0.45
NAMPT P43490 1/20 0.41
CHRNA7 P36544 8/20 0.36
HTR3A P46098 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 2/20 0.34
ALOX5 P09917 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
ADORA1 P30542 1/20 0.33
STAT1 P42224 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL843696 0.83 CHRNA7 (0.49) NAMPTCHRNA7HTR3AHTR3EHTR3B
SCHEMBL843062 0.81 GRIN3B (0.48) GRIN3BGRIN1GRIN2CNAMPTCHRNA7
SCHEMBL842912 0.78 CHRNA7 (0.41) NAMPTCHRNA7HTR3AHTR3EHTR3B
SCHEMBL842822 0.78 CHRNA7 (0.51) NAMPTCHRNA7HTR3AHTR3EHTR3B
SCHEMBL6099187 0.77 HTR3A (0.56) CHRNA7HTR3ANPC1MAPTRAB9A
SCHEMBL6097532 0.76 GRM5 (0.39) CHRNA7CNR2HCRTR1
SCHEMBL6099596 0.74 GRM5 (0.56) CHRNA7KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL2897420 0.72 CHRNA7 (0.69) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL2889530 0.72 CHRNA7 (0.69) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6851118 0.72 CHRNA7 (0.43) GRIN3BGRIN1GRIN2CNAMPTCHRNA7

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP claimed
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US claimed
EP-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP claimed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US claimed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO claimed
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US disclosed
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC. 2005-10-06 US disclosed
US-6911543-B2 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PFIZER INC. (US) 2005-06-28 US disclosed
EP-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 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 (3 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-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 GRIN3B 265/4885GRIN1 773/4885GRIN2C 177/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 GRIN3B 774/4885GRIN1 884/4885GRIN2C 350/4885
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 GRIN3B 265/4885GRIN1 773/4885GRIN2C 177/4885

“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.