SCHEMBL6389596

SCHEMBL6389596

O=C(NC1CC2CC1CN2)c1ccc2ncsc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.55
CHRNA7 P36544 2/20 0.52
NPC1 O15118 13/20 0.50
RAB9A P51151 13/20 0.50
KDM4E B2RXH2 3/20 0.50
HKDC1 Q2TB90 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
RXFP1 Q9HBX9 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
NAMPT P43490 1/20 0.47
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL844143 0.83 SMYD3 (0.38) SMYD3CHRNA7NPC1RAB9AKDM4E
SCHEMBL14108181 0.81 CHRNA7 (0.60) SMYD3CHRNA7NPC1RAB9AKDM4E
SCHEMBL6479979 0.80 CHRNA7 (0.57) CHRNA7NAMPT
SCHEMBL6098549 0.79 HTR3A (0.60) CHRNA7NPC1RAB9ATAS1R3TAS1R1
SCHEMBL6395223 0.78 TAS1R3 (0.47) SMYD3CHRNA7NPC1RAB9ATDP1
SCHEMBL6478750 0.77 CHRNA7 (0.49) CHRNA7NPC1RAB9ANAMPT
SCHEMBL6388869 0.76 NAMPT (0.47) CHRNA7NPC1RAB9ATDP1TAS1R3
SCHEMBL6101484 0.75 SSTR3 (0.47)
SCHEMBL262040 0.74 CHRNA7 (0.67) SMYD3CHRNA7
SCHEMBL261173 0.74 CHRNA7 (0.67) SMYD3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 US claimed
US-6849620-B2 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PFIZER INC (US) 2005-02-01 US disclosed
EP-1438308-A1 N-AZABICYCLO-SUBSTITUTED HETERO-BICYCLIC CARBOXAMIDES AS NACHR AGONISTS PHARMACIA & UPJOHN COMPANY (US) 2004-07-21 EP disclosed
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 US disclosed
WO-2003037896-A1 N-AZABICYCLO-SUBSTITUTED HETERO-BICYCLIC CARBOXAMIDES AS NACHR AGONISTS PHARMACIA & UPJOHN COMPANY (US) 2003-05-08 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-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease CYP1B1, ABCB1, NAT1 SMYD3 3801/4885CHRNA7 1187/4885NPC1 220/4885

“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.