SCHEMBL6411873

SCHEMBL6411873

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cn2cc(Br)cc2cn1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.31
KDM1A O60341 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
SCHEMBL6417953 0.87 IRAK4 (0.33) IRAK4KDM1A
SCHEMBL6413652 0.87 HTR3A (0.35) CHRNA7
SCHEMBL6412203 0.85 CHRNA7 (0.37) CHRNA7KDM1A
SCHEMBL6412293 0.85 SLC6A2 (0.35) IRAK4KDM1A
SCHEMBL6417453 0.85 KDM1A (0.36) IRAK4KDM1A
SCHEMBL6418514 0.83 SMYD3 (0.32) IRAK4
SCHEMBL5917871 0.83 CHRNA7 (0.36) CHRNA7IRAK4KDM1A
SCHEMBL6417975 0.82 CHRNA7 (0.33) CHRNA7
Hydrochloric Acid SCHEMBL6477044 0.82 CHRNA7 (0.36) CHRNA7IRAK4KDM1A
SCHEMBL6418909 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.