SCHEMBL5838501

SCHEMBL5838501

O=C1c2cccc(Br)c2CCN1CC1CCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 4/20 0.51
GRM2 Q14416 5/20 0.51
KCNH2 Q12809 4/20 0.51
GRM5 P41594 4/20 0.48
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
CYP1A2 P05177 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TRPA1 O75762 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK5 Q00535 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK1A Q13627 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
HTT P42858 1/20 0.38
HTR3A P46098 1/20 0.37

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
SCHEMBL5839594 0.94 GRM2 (0.49) CYP1B1GRM2KCNH2GRM5PARP10
SCHEMBL5840112 0.83 GRM5 (0.47) CYP1B1GRM2KCNH2GRM5CYP1A2
SCHEMBL5840128 0.79 HTT (0.56) CYP1B1PARP10PARP11HRH3PIM1
SCHEMBL5839987 0.78 GRM5 (0.44) CYP1B1GRM2KCNH2GRM5HRH3
Hydrochloric Acid SCHEMBL16268410 0.77 GRM5 (0.45) GRM2KCNH2GRM5HTT
SCHEMBL3651553 0.76 PARP10 (0.42) GRM5PARP10PARP11HRH3PIM1
SCHEMBL3003289 0.76 PARP10 (0.42) PARP10PARP11HRH3PIM1CSNK1A1
SCHEMBL5811844 0.76 HTT (0.45) GRM5PARP10PARP11HRH3PIM1
SCHEMBL4526669 0.75 HRH3 (0.66) KCNH2HRH3
SCHEMBL4526672 0.75 HRH3 (0.66) KCNH2HRH3

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-7144894-B2 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
US-20060063799-A1 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 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-20060063799-A1 Sulfonamide bicyclic compounds APP, BACE1, IAPP CYP1B1 1977/4885GRM2 4523/4885KCNH2 2602/4885

“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.