SCHEMBL2332852

SCHEMBL2332852

CN(CCN1CCN(c2nccnc2Cl)CC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
CCR5 P51681 4/20 0.45
CFTR P13569 1/20 0.44
ADRB2 P07550 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGES O14684 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CXCR4 P61073 1/20 0.39

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
SCHEMBL2335229 0.89 SIGMAR1 (0.40) SIGMAR1CCR5CFTRADRB2MAPT
SCHEMBL2334473 0.87 CFTR (0.39) SIGMAR1CFTRADRB2
SCHEMBL2331440 0.85 SIGMAR1 (0.39) SIGMAR1CCR5CFTRADRB2MAPT
SCHEMBL12156814 0.82 SMN1; SMN2 (0.45) SIGMAR1CCR5CFTRADRB2KDM4E
Hydrochloric Acid SCHEMBL2337786 0.81 KDM4E (0.44) SIGMAR1CCR5CFTRADRB2KDM4E
SCHEMBL12156820 0.81 KDM4E (0.41) SIGMAR1CCR5CFTRADRB2KDM4E
Hydrochloric Acid SCHEMBL2331840 0.80 KDM4E (0.41) SIGMAR1CCR5CFTRADRB2KDM4E
SCHEMBL12156798 0.79 PIK3CD (0.42) SIGMAR1CCR5CFTRADRB2KDM4E
SCHEMBL2337744 0.79 MEN1 (0.42) SIGMAR1
Hydrochloric Acid SCHEMBL2336543 0.78 PIK3CD (0.42) SIGMAR1CCR5CFTRADRB2KDM4E

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 SIGMAR1 291/4885CCR5 408/4885CFTR 3607/4885

“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.