SCHEMBL6412265

SCHEMBL6412265

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2nccn2cn1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.71
PIK3C3 Q8NEB9 1/20 0.38
ACKR3 P25106 3/20 0.36
USP30 Q70CQ3 3/20 0.35
HTR3A P46098 2/20 0.35
GRM5 P41594 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 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
SCHEMBL6412269 1.00 CHRNA7 (0.71) CHRNA7PIK3C3ACKR3USP30HTR3A
SCHEMBL6420660 1.00 CHRNA7 (0.71) CHRNA7PIK3C3ACKR3USP30HTR3A
SCHEMBL6417447 0.83 CHRNA7 (1.00) CHRNA7USP30HTR3AHTR3EHTR3B
SCHEMBL5917856 0.83 CHRNA7 (1.00) CHRNA7USP30HTR3AHTR3EHTR3B
SCHEMBL5917858 0.83 CHRNA7 (1.00) CHRNA7USP30HTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL6419220 0.82 CHRNA7 (0.98) CHRNA7USP30HTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL6419222 0.82 CHRNA7 (0.98) CHRNA7USP30HTR3AHTR3EHTR3B
SCHEMBL6415847 0.82 CHRNA7 (0.58) CHRNA7PIK3C3HTR3A
SCHEMBL6418516 0.82 CHRNA7 (0.58) CHRNA7PIK3C3HTR3A
SCHEMBL6411415 0.82 CHRNA7 (0.56) CHRNA7ACKR3USP30HTR3A

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 1475/4885PIK3C3 2287/4885ACKR3 3564/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885PIK3C3 3817/4885ACKR3 1023/4885

“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.