SCHEMBL6413059

SCHEMBL6413059

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2c(Br)ccn2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.43
HPGDS O60760 2/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 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
SCHEMBL6412549 0.87 CHRNA7 (0.37) CHRNA7HPGDSHTR3EHTR3BHTR3A
SCHEMBL6414921 0.87 CHRNA7 (0.34) CHRNA7HPGDS
SCHEMBL6416622 0.85 CHRNA7 (0.43) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6412374 0.84 SLC6A2 (0.34) CHRNA7HPGDS
SCHEMBL6413954 0.84 KDM1A (0.38) CHRNA7HPGDS
SCHEMBL6418916 0.82 CHRNA7 (0.35) CHRNA7
SCHEMBL6418060 0.81 CHRNA7 (0.43) CHRNA7HPGDSHTR3EHTR3BHTR3A
SCHEMBL6410423 0.80 CHRNA7 (0.41) CHRNA7
SCHEMBL6412749 0.80 CHRNA7 (0.49) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6414539 0.80 CHRNA7 (0.45) CHRNA7HPGDS

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 1475/4885HPGDS 2142/4885HTR3E 3634/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885HPGDS 3247/4885HTR3E 1288/4885

“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.