SCHEMBL6412438

SCHEMBL6412438

O=C(N[C@@H]1CC2CCN(C2)C1)c1ccc2cc3ccccn3c2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.59
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
HTR3A P46098 1/20 0.42
DRD4 P21917 3/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
KHK P50053 2/20 0.38

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
SCHEMBL6418057 1.00 CHRNA7 (0.59) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6418052 0.83 CHRNA7 (0.57) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6098251 0.82 CHRNA7 (0.68) CHRNA7DRD4SLC6A12SLC6A13
SCHEMBL6098257 0.82 CHRNA7 (0.68) CHRNA7DRD4SLC6A12SLC6A13
SCHEMBL6415487 0.82 CHRNA7 (0.58) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6412578 0.81 CHRNA7 (0.64) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6396713 0.78 CHRNA7 (0.69) CHRNA7CHRNB4CHRNA3HTR3ADRD4
SCHEMBL6396720 0.78 CHRNA7 (0.69) CHRNA7CHRNB4CHRNA3HTR3ADRD4
SCHEMBL4795803 0.77 CHRNA7 (0.75) CHRNA7
SCHEMBL6392138 0.77 CHRNA7 (0.67) CHRNA7CHRNB4CHRNA3HTR3ADRD4

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 7 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
EP-1476449-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP claimed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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 1475/4885CHRNB2 3127/4885CHRNB4 3324/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885CHRNB2 39/4885CHRNB4 43/4885

“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.