SCHEMBL5840112

SCHEMBL5840112

O=Cc1cccc2c1CCN(CC1CCC1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.47
KCNH2 Q12809 4/20 0.40
GRM2 Q14416 4/20 0.40
CYP1B1 Q16678 3/20 0.39
CYP1A2 P05177 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TRPA1 O75762 3/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHPS P49366 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5839987 0.96 GRM5 (0.44) GRM5KCNH2GRM2CYP1B1HRH3
SCHEMBL5838501 0.83 CYP1B1 (0.51) GRM5KCNH2GRM2CYP1B1CYP1A2
SCHEMBL5809501 0.81 HTT (0.54) HRH3HTTALDH1A1LMNASMN1; SMN2
SCHEMBL5810873 0.78 HTT (0.43) GRM5HRH3HTTALDH1A1LMNA
SCHEMBL5812457 0.77 DHPS (0.58) GRM5HTTALDH1A1LMNASMN1; SMN2
SCHEMBL5839594 0.77 GRM2 (0.49) GRM5KCNH2GRM2CYP1B1HTT
SCHEMBL5806592 0.76 ALDH1A1 (0.49) GRM5HRH3HTTALDH1A1LMNA
Hydrochloric Acid SCHEMBL16268410 0.76 GRM5 (0.45) GRM5KCNH2GRM2HTTALDH1A1
SCHEMBL5810628 0.75 DRD2 (0.43) GRM5HRH3HTTALDH1A1LMNA
SCHEMBL5809369 0.73 POLB (0.48) GRM5HTTALDH1A1LMNASMN1; SMN2

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 GRM5 4093/4885KCNH2 2602/4885GRM2 4523/4885

“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.