SCHEMBL6758236

SCHEMBL6758236

C[C@H]1[C@H](NC(=O)c2ccc3c(Br)coc3c2)C2CCN1CC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.42
HTR3A P46098 6/20 0.40
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CYP2D6 P10635 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL6757501 0.92 CHRNA7 (0.48) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6756936 0.88 CHRNA7 (0.52) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6755113 0.87 CHRNA7 (0.53) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6756904 0.85 CHRNA7 (0.43) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6759430 0.85 CHRNA7 (0.40) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6756933 0.85 CHRNA7 (0.40) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6756416 0.84 CHRNA7 (0.39) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6759389 0.82 CHRNA7 (0.62) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6756927 0.81 CHRNA7 (0.64) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL5917848 0.79 CHRNA7 (0.41) CHRNA7HTR3ACHRNB2CHRNA4HTR3E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US claimed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US claimed

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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 CHRNA7 2449/4885HTR3A 4302/4885CHRNB2 3348/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 CHRNA7 2449/4885HTR3A 4302/4885CHRNB2 3348/4885

“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.