SCHEMBL6411869

SCHEMBL6411869

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccn2cncc2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
CHRNA7 P36544 6/20 0.36
NTRK1 P04629 1/20 0.35
TBXAS1 P24557 1/20 0.34
FASN P49327 2/20 0.33
MGLL Q99685 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
GRM5 P41594 2/20 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
SCHEMBL6414838 0.84 CHRNA7 (0.43) CHRNA7GRM5
SCHEMBL6416960 0.83 NAMPT (0.41) NAMPTCHRNA7TBXAS1MGLLIRAK4
SCHEMBL6412725 0.81 NAMPT (0.44) NAMPTCHRNA7NTRK1TBXAS1FASN
SCHEMBL6414423 0.81 CHRNA7 (0.39) CHRNA7IRAK4
SCHEMBL6411936 0.80 NAMPT (0.41) NAMPTCHRNA7NTRK1TBXAS1FASN
SCHEMBL6412490 0.80 CHRNA7 (0.50) CHRNA7GRM5
SCHEMBL6414942 0.80 CHRNA7 (0.41) CHRNA7
SCHEMBL6418418 0.80 CHRNA7 (0.50) CHRNA7
SCHEMBL7035692 0.80 PIK3C3 (0.41) NAMPTCHRNA7NTRK1
SCHEMBL6411797 0.80 PIK3C3 (0.41) NAMPTCHRNA7NTRK1

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-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US claimed
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 353/4885CHRNA7 1475/4885NTRK1 2357/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 NAMPT 873/4885CHRNA7 1/4885NTRK1 1424/4885

“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.