SCHEMBL6415076

SCHEMBL6415076

Cc1ccn2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.37
SLC6A3 Q01959 5/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNA1 P02708 2/20 0.33
CHRNG P07510 2/20 0.33
ITGA5 P08648 2/20 0.33
CHRNB1 P11230 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRND Q07001 2/20 0.33
LRRK2 Q5S007 1/20 0.32
KDM1A O60341 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL6412425 0.88 CHRNA7 (0.37) CHRNA7KDM1A
SCHEMBL6413628 0.88 CHRNA7 (0.37) CHRNA7SLC6A3SLC6A2SLC6A4CHRNB2
SCHEMBL6415404 0.85 KDM1A (0.38) CHRNA7CHRNB2CHRNA4KDM1A
SCHEMBL6410972 0.85 CHRNA7 (0.37) CHRNA7SLC6A3SLC6A2SLC6A4KDM1A
SCHEMBL6417943 0.83 IRAK4 (0.33) SLC6A3SLC6A2SLC6A4CHRNB2CHRNA4
SCHEMBL6417911 0.83 SLC6A3 (0.35) SLC6A3SLC6A2SLC6A4CHRNB2CHRNA4
SCHEMBL5917810 0.82 CHRNA7 (0.55) CHRNA7
SCHEMBL6419165 0.81 CHRNA7 (0.37) CHRNA7LRRK2RIPK1
SCHEMBL6412523 0.81 CHRNA7 (0.39) CHRNA7LRRK2RIPK1
Hydrochloric Acid SCHEMBL6418914 0.81 CHRNA7 (0.54) CHRNA7

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 3803/4885SLC6A2 3428/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885SLC6A3 2347/4885SLC6A2 1831/4885

“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.