SCHEMBL5839596

SCHEMBL5839596

CCC(CC)N1CCc2c(C=O)cccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
DHPS P49366 3/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
PARP1 P09874 2/20 0.32
KCNJ1 P48048 1/20 0.32
CYP1B1 Q16678 1/20 0.32
GRM5 P41594 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 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
SCHEMBL5808991 0.85 GRM5 (0.39) HTTKCNJ1GRM5
SCHEMBL5811735 0.81 PARP10 (0.41) HTTMEN1KMT2AMAPTDHPS
SCHEMBL5809501 0.79 HTT (0.54) HTTMEN1KMT2AMAPTDHPS
SCHEMBL5808818 0.78 GRM5 (0.40) HTTMEN1KMT2AMAPTDHPS
SCHEMBL5809369 0.77 POLB (0.48) HTTMEN1KMT2APOLBRECQL
SCHEMBL5810873 0.77 HTT (0.43) HTTMEN1KMT2AMAPTDHPS
SCHEMBL5806592 0.75 ALDH1A1 (0.49) HTTMEN1KMT2AMAPTGRM5
SCHEMBL12059947 0.74 ALOX15 (0.43) MEN1KMT2AMAPTITGB3ITGA2B
SCHEMBL5808795 0.73 MRGPRX4 (0.37) HTTMEN1KMT2AMAPTDHPS
SCHEMBL5810628 0.71 DRD2 (0.43) HTTMEN1KMT2AMAPTPOLB

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 HTT 242/4885MEN1 2317/4885KMT2A 4130/4885

“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.