SCHEMBL2339366

SCHEMBL2339366

CN(CCN1CCN(c2nccnc2-c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SIGMAR1 Q99720 3/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
KDM2B Q8NHM5 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CG P48736 2/20 0.35

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
SCHEMBL12156804 0.91 SIGMAR1 (0.46) MEN1KMT2ASIGMAR1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL2335083 0.90 SIGMAR1 (0.46) MEN1KMT2ASIGMAR1MAPTSMN1; SMN2
SCHEMBL12156844 0.86 SSTR5 (0.39) SIGMAR1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL12156806 0.86 SIGMAR1 (0.39) MEN1KMT2ASIGMAR1MAPTSMN1; SMN2
SCHEMBL12156814 0.86 SMN1; SMN2 (0.45) MEN1KMT2ASIGMAR1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL2337534 0.85 SSTR5 (0.39) SIGMAR1MAPTSMN1; SMN2KDM4EPOLB
Hydrochloric Acid SCHEMBL2337786 0.85 KDM4E (0.44) ALDH1A1MEN1KMT2ASIGMAR1MAPT
Hydrochloric Acid SCHEMBL2332581 0.85 SIGMAR1 (0.39) ALDH1A1MEN1KMT2ASIGMAR1MAPT
SCHEMBL12156803 0.84 HTR7 (0.49) ALDH1A1SIGMAR1MAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL2332629 0.84 HTR7 (0.48) ALDH1A1SIGMAR1MAPTSMN1; SMN2KDM4E

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 8 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
US-8048884-B2 Substituted piperazinyl pyrazines and pyridines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
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-B1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-08-17 EP disclosed
US-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-25 US 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 ALDH1A1 3213/4885MEN1 497/4885KMT2A 1192/4885

“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.