SCHEMBL2163071

SCHEMBL2163071

CS(=O)(=O)OCCC1CCN(c2ccn3c(n2)nc2ccccc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD11B1 P28845 4/20 0.34
MAPK8 P45983 1/20 0.33
CHRM1 P11229 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL38652658 1.00 SMO (0.37) SMOCYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL17274059 0.88 HSD11B1 (0.42) CYP2D6ALDH1A1LMNAHPGDHTT
SCHEMBL30013269 0.83 PIK3CB (0.39) CYP2D6KDM4EALDH1A1LMNAMAPT
SCHEMBL2162692 0.83 PIK3CB (0.39) CYP2D6KDM4EALDH1A1LMNAMAPT
SCHEMBL18053584 0.83 PIK3CB (0.39) CYP2D6KDM4EALDH1A1LMNAMAPT
SCHEMBL12403017 0.83 KDM4E (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL2163839 0.82 MAPK8 (0.36) SMOCYP1A2KDM4ELMNAMAPT
SCHEMBL17698422 0.82 MAPT (0.35) SMOKDM4EALDH1A1LMNAMAPT
SCHEMBL25800952 0.82 PIK3CB (0.36) CYP2D6KDM4EALDH1A1LMNAMAPT
SCHEMBL2162681 0.82 PIK3CB (0.36) CYP2D6KDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP claimed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 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-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 SMO 3980/4885CYP1A2 3777/4885CYP3A4 4408/4885

“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.