SCHEMBL2331975

SCHEMBL2331975

CN(CCN1CCN(c2cccnc2Cl)CC1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
HTR1A P08908 3/20 0.43
ADRA1A P35348 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 2/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1B P35368 2/20 0.43
DRD3 P35462 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL2334111 0.85 SIGMAR1 (0.39) MAPTSIGMAR1HTR1ADRD2HTT
SCHEMBL7221894 0.80 HTR1A (0.62) SMN1; SMN2MAPTPOLBHTR1AADRA1A
SCHEMBL12156856 0.80 HTR7 (0.45) SMN1; SMN2MAPTKDM4EPOLBSIGMAR1
Hydrochloric Acid SCHEMBL2334816 0.79 HTR7 (0.45) SMN1; SMN2MAPTKDM4EPOLBSIGMAR1
SCHEMBL12156847 0.78 HTR7 (0.42) SMN1; SMN2MAPTKDM4EPOLBSIGMAR1
SCHEMBL12156853 0.78 HTR7 (0.41) SMN1; SMN2MAPTKDM4EPOLBSIGMAR1
Hydrochloric Acid SCHEMBL2330966 0.78 HTR7 (0.41) SMN1; SMN2MAPTKDM4EPOLBSIGMAR1
Hydrochloric Acid SCHEMBL2332767 0.77 HTR7 (0.40) SMN1; SMN2MAPTKDM4EPOLBSIGMAR1
SCHEMBL12156804 0.77 SIGMAR1 (0.46) SMN1; SMN2MAPTKDM4EPOLBSIGMAR1
SCHEMBL2332852 0.77 SIGMAR1 (0.46) MAPTKDM4ESIGMAR1HTTADRB2

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
US-8048884-B2 Substituted piperazinyl pyrazines and pyridines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
EP-2188268-B1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-08-17 EP disclosed
EP-2188268-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2010-05-26 EP disclosed
US-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-25 US disclosed
WO-2009029439-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-03-05 WO 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-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C SMN1; SMN2 3108/4885MAPT 2865/4885KDM4E 1003/4885

“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.