SCHEMBL6418451

SCHEMBL6418451

O=C(NC1CN2CC[C@H]1C2)c1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.55
HTR3A P46098 5/20 0.52
HTR3E A5X5Y0 3/20 0.50
HTR3B O95264 3/20 0.50
HTR3D Q70Z44 3/20 0.50
HTR3C Q8WXA8 3/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL6415214 0.94 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6420789 0.83 RAB9A (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6417523 0.81 CHRNA7 (0.59) CHRNA7KDM4EALDH1A1HPGD
SCHEMBL6412722 0.81 CHRNA7 (0.59) CHRNA7KDM4EALDH1A1HPGD
SCHEMBL6417528 0.81 CHRNA7 (0.59) CHRNA7KDM4EALDH1A1HPGD
SCHEMBL6097906 0.80 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6099986 0.79 CHRNA7 (0.56) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6481195 0.78 CHRNA7 (0.75) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6415417 0.77 RAB9A (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6310440 0.77 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D

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 1475/4885HTR3A 2944/4885HTR3E 3634/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885HTR3A 788/4885HTR3E 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.