SCHEMBL6413628

SCHEMBL6413628

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc2c(Cl)ccn2cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.37
SLC6A3 Q01959 4/20 0.34
SLC6A4 P31645 3/20 0.34
CHRNB2 P17787 6/20 0.33
CHRNA4 P43681 6/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA1 P02708 2/20 0.33
CHRNG P07510 2/20 0.33
CHRNB1 P11230 2/20 0.33
CHRND Q07001 2/20 0.33
ITGA5 P08648 1/20 0.33
SLC6A2 P23975 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
CHRNA2 Q15822 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KAT6A Q92794 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
SCHEMBL6415076 0.88 CHRNA7 (0.37) CHRNA7SLC6A3SLC6A4CHRNB2CHRNA4
SCHEMBL6412425 0.88 CHRNA7 (0.37) CHRNA7
SCHEMBL6410972 0.85 CHRNA7 (0.37) CHRNA7SLC6A3SLC6A4SLC6A2
SCHEMBL6415404 0.85 KDM1A (0.38) CHRNA7CHRNB2CHRNA4GRM5
SCHEMBL6411142 0.83 CHRNB2 (0.34) CHRNA7SLC6A3SLC6A4CHRNB2CHRNA4
SCHEMBL6417982 0.83 SLC6A3 (0.36) CHRNA7SLC6A3SLC6A4CHRNB2CHRNA4
SCHEMBL5917810 0.82 CHRNA7 (0.55) CHRNA7GRM5
SCHEMBL6417932 0.81 CHRNA7 (0.37) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6415292 0.81 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL6418914 0.81 CHRNA7 (0.54) CHRNA7GRM5

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 CHRNA7 1475/4885SLC6A3 3803/4885SLC6A4 3294/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885SLC6A3 2347/4885SLC6A4 2118/4885

“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.