SCHEMBL6414838

SCHEMBL6414838

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccn2cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.43
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
GRM5 P41594 2/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 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
SCHEMBL6412490 0.84 CHRNA7 (0.50) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6418418 0.84 CHRNA7 (0.50) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6411869 0.84 NAMPT (0.41) CHRNA7GRM5
SCHEMBL6414942 0.84 CHRNA7 (0.41) CHRNA7
SCHEMBL6418060 0.83 CHRNA7 (0.43) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6411398 0.82 CHRNA7 (0.39) CHRNA7
SCHEMBL6417844 0.82 CHRNA7 (0.39) CHRNA7GRM5
SCHEMBL7035692 0.81 PIK3C3 (0.41) CHRNA7HTR3A
SCHEMBL6417911 0.81 SLC6A3 (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6417982 0.81 SLC6A3 (0.36) CHRNA7GRM5CHRNB4CHRNA3

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
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
EP-1476449-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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 1475/4885HTR3E 3634/4885HTR3B 2900/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885HTR3E 1288/4885HTR3B 510/4885

“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.