SCHEMBL6418909

SCHEMBL6418909

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cn2c(Br)ccc2cn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.34
IRAK4 Q9NWZ3 1/20 0.31
KDM1A O60341 1/20 0.31
CHRNB2 P17787 5/20 0.30
CHRNA4 P43681 5/20 0.30
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
HPGD P15428 1/20 0.30
CHRND Q07001 1/20 0.30
CHRNA2 Q15822 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6418609 0.87 CHRNA7 (0.34) CHRNA7IRAK4KDM1ACHRNB2CHRNA4
SCHEMBL6417400 0.87 CHRNB2 (0.34) CHRNA7IRAK4CHRNB2CHRNA4CHRNB4
SCHEMBL6410500 0.85 SLC6A2 (0.33) IRAK4KDM1A
SCHEMBL6419861 0.85 KDM1A (0.36) IRAK4KDM1ACHRNB2CHRNA4
SCHEMBL6411850 0.83 CHRNA7 (0.35) CHRNA7KDM1A
SCHEMBL6417793 0.83 KDM1A (0.32) IRAK4KDM1A
SCHEMBL6416481 0.82 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6415920 0.82 CHRNA7 (0.33) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6412739 0.81 KDM1A (0.31) KDM1A
SCHEMBL6411873 0.81 CHRNA7 (0.34) CHRNA7IRAK4KDM1A

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 5 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
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 1475/4885IRAK4 2148/4885KDM1A 2137/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885IRAK4 1829/4885KDM1A 1720/4885

“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.