SCHEMBL879752

SCHEMBL879752

Cc1cc(C(=O)C(C)C)ccc1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.64
CHRNG P07510 2/20 0.64
CHRNB1 P11230 2/20 0.64
CHRNB2 P17787 2/20 0.64
SLC6A2 P23975 2/20 0.64
CHRNB4 P30926 2/20 0.64
SLC6A4 P31645 2/20 0.64
CHRNA3 P32297 2/20 0.64
CHRNA4 P43681 2/20 0.64
SLC6A3 Q01959 2/20 0.64
CHRND Q07001 2/20 0.64
KDM4E B2RXH2 1/20 0.53
DBH P09172 1/20 0.53
GAA P10253 1/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL633275 0.87 CHRNA1 (0.62) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL15822168 0.85 KDM4E (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL12332226 0.83 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3670046 0.82 KDM4E (0.59) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL16357740 0.80 CHRNA1 (0.55) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL27581493 0.79 HTT (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11666862 0.79 GAA (0.52) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL17275631 0.79 GAA (0.52) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL769448 0.79 SLC6A3 (1.00) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL172415 0.78 KDM4E (0.71) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244096-A1 Fused Bicyclic Nitrogen-Containing Heterocycles JAPAN TOBACCO INC. (JP) 2007-10-18 US disclosed
US-20070244096-A1 Fused Bicyclic Nitrogen-Containing Heterocycles JAPAN TOBACCO INC. (JP) 2007-10-18 US disclosed
US-7244727-B2 Fused bicyclic nitrogen-containing heterocycles JAPAN TOBACCO INC. (JP) 2007-07-17 US disclosed
US-7244727-B2 Fused bicyclic nitrogen-containing heterocycles JAPAN TOBACCO INC. (JP) 2007-07-17 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 (1 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-20070244096-A1 Fused Bicyclic Nitrogen-Containing Heterocycles PC, HCCS, MYC CHRNA1 4687/4885CHRNG 4425/4885CHRNB1 4596/4885

“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.