SCHEMBL6415322

SCHEMBL6415322

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccn2c(Cl)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.42
GRM5 P41594 2/20 0.34
SLC6A3 Q01959 4/20 0.34
SLC6A4 P31645 3/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
HTR3A P46098 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRND Q07001 1/20 0.33

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
SCHEMBL6411037 0.87 CHRNA7 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6412340 0.87 CHRNA7 (0.42) CHRNA7SLC6A3SLC6A4CHRNB2CHRNB4
SCHEMBL6417079 0.84 CHRNA7 (0.43) CHRNA7SLC6A3SLC6A4CHRNB2CHRNB4
SCHEMBL6412369 0.84 SLC6A2 (0.34) CHRNA7SLC6A3SLC6A4CHRNB2CHRNB4
SCHEMBL6410434 0.84 KDM1A (0.35) CHRNA7GRM5CHRNB2CHRNB4CHRNA3
SCHEMBL6412490 0.81 CHRNA7 (0.50) CHRNA7GRM5SLC6A3SLC6A4HTR3A
SCHEMBL6414838 0.81 CHRNA7 (0.43) CHRNA7GRM5CHRNB4CHRNA3HTR3A
SCHEMBL6411188 0.81 CHRNA7 (0.35) CHRNA7GRM5SLC6A3SLC6A4CHRNB2
SCHEMBL6412908 0.80 CHRNA7 (0.44) CHRNA7GRM5CHRNB2CHRNB4CHRNA3
SCHEMBL6412091 0.80 CHRNA7 (0.40) CHRNA7GRM5CHRNB2CHRNB4CHRNA3

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 1475/4885GRM5 680/4885SLC6A3 3803/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885GRM5 74/4885SLC6A3 2347/4885

“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.