SCHEMBL6417776

SCHEMBL6417776

O=C(NC1CC2CC1CN2)c1cc2cc(Cl)cn2cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.39
HTR3A P46098 1/20 0.35
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CBLB Q13191 1/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30

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
SCHEMBL6419823 0.87 CHRNA7 (0.39) CHRNA7CBLB
SCHEMBL6411783 0.87 CHRNA7 (0.39) CHRNA7
SCHEMBL6415347 0.85 HTR3A (0.35) CHRNA7HTR3ACHRNB2CHRNA4CHRNB4
SCHEMBL6418062 0.85 IRAK4 (0.39) CHRNA7
SCHEMBL6411125 0.85 CHRNA7 (0.38) CHRNA7
SCHEMBL6417938 0.84 CHRNA7 (0.54) CHRNA7HTR3ACBLB
SCHEMBL6417875 0.83 CHRNA7 (0.41) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6417563 0.81 CHRNA7 (0.37) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6412215 0.81 CHRNA7 (0.37) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6411209 0.81 CHRNA7 (0.37) CHRNA7HTR3ACHRNB2CHRNA4CHRNB4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1475/4885HTR3A 2944/4885CHRNB2 3127/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885HTR3A 788/4885CHRNB2 39/4885

“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.