SCHEMBL6415345

SCHEMBL6415345

O=C(N[C@H]1CN2CCC1CC2)c1cn2cc(Cl)cc2cn1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.61
CHRNA7 P36544 7/20 0.56
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53
HTR3D Q70Z44 2/20 0.53
HTR3C Q8WXA8 2/20 0.53
TSHR P16473 2/20 0.52
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6411919 0.94 HTR3A (0.54) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6414363 0.87 CHRNA7 (0.60) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6416505 0.87 CHRNA7 (0.53) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6418471 0.84 HTR3A (0.61) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6417419 0.84 CHRNA7 (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6420743 0.84 CHRNA7 (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL6415456 0.83 HTR3A (0.60) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL5917896 0.82 CHRNA7 (0.61) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6414345 0.82 CHRNA7 (0.52) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6420606 0.81 CHRNA7 (0.53) HTR3ACHRNA7HTR3EHTR3BHTR3D

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 8 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
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 HTR3A 2944/4885CHRNA7 1475/4885HTR3E 3634/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 HTR3A 788/4885CHRNA7 1/4885HTR3E 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.