SCHEMBL6417865

SCHEMBL6417865

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2cc(Br)cn2cn1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.70
USP30 Q70CQ3 3/20 0.33
MLLT3 P42568 1/20 0.33
MLLT1 Q03111 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
ACKR3 P25106 1/20 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
SCHEMBL6413684 1.00 CHRNA7 (0.70) CHRNA7USP30MLLT3MLLT1SMYD3
SCHEMBL6417861 1.00 CHRNA7 (0.70) CHRNA7USP30MLLT3MLLT1SMYD3
SCHEMBL6410907 0.87 CHRNA7 (0.70) CHRNA7USP30MLLT3MLLT1SMYD3
SCHEMBL6414385 0.87 CHRNA7 (0.70) CHRNA7USP30MLLT3MLLT1SMYD3
SCHEMBL6413691 0.87 CHRNA7 (0.70) CHRNA7USP30MLLT3MLLT1SMYD3
SCHEMBL6410342 0.87 CHRNA7 (0.70) CHRNA7USP30MLLT3MLLT1SMYD3
SCHEMBL6410348 0.87 CHRNA7 (0.70) CHRNA7USP30MLLT3MLLT1SMYD3
SCHEMBL6414387 0.87 CHRNA7 (0.70) CHRNA7USP30MLLT3MLLT1SMYD3
SCHEMBL6411090 0.85 CHRNA7 (0.56) CHRNA7USP30HTR3EHTR3BHTR3A
SCHEMBL6411093 0.85 CHRNA7 (0.56) CHRNA7USP30HTR3EHTR3BHTR3A

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 1475/4885USP30 4001/4885MLLT3 1402/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885USP30 3924/4885MLLT3 1245/4885

“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.