SCHEMBL6413482

SCHEMBL6413482

O=C(NC1CC2CC1CN2)c1ccc2cncn2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.45
HDAC1 Q13547 2/20 0.43
ESR1 P03372 1/20 0.37
TBXAS1 P24557 1/20 0.36
CHRNA7 P36544 5/20 0.34
DDR1 Q08345 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
EPHX2 P34913 1/20 0.31
HPGDS O60760 1/20 0.31

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
SCHEMBL6412725 0.84 NAMPT (0.44) NAMPTTBXAS1CHRNA7IRAK4EPHX2
SCHEMBL6417110 0.84 CHRNA7 (0.44) NAMPTCHRNA7
SCHEMBL6411827 0.82 CHRNA7 (0.30) NAMPTCHRNA7IRAK4
SCHEMBL6411848 0.80 NAMPT (0.41) NAMPTHDAC1ESR1TBXAS1CHRNA7
SCHEMBL6416960 0.80 NAMPT (0.41) NAMPTHDAC1ESR1TBXAS1CHRNA7
SCHEMBL6415882 0.80 CHRNA7 (0.40) CHRNA7IRAK4HPGDS
SCHEMBL6418263 0.80 CHRNA7 (0.49) CHRNA7IRAK4
SCHEMBL6413063 0.80 CHRNA7 (0.41) CHRNA7
SCHEMBL6414394 0.79 NAMPT (0.50) NAMPT
SCHEMBL6417875 0.78 CHRNA7 (0.41) NAMPTTBXAS1CHRNA7IRAK4

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-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US disclosed
US-6858613-B2 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC. (US) 2005-02-22 US disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides 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 (2 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-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY NAMPT 353/4885HDAC1 29/4885ESR1 1872/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 NAMPT 873/4885HDAC1 91/4885ESR1 1287/4885

“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.