SCHEMBL1616159

SCHEMBL1616159

O=S(=O)(Nc1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12)c1ccc(NCC2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.39
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN8A Q9UQD0 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
ALOX15 P16050 1/20 0.37
NPY5R Q15761 5/20 0.36
SLC6A4 P31645 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADRA2A P08913 1/20 0.35
HPGD P15428 1/20 0.35
NPY1R P25929 1/20 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
SCHEMBL1616346 0.86 MEN1 (0.46) SCN1ASCN5ASCN8AALDH1A1MAPT
SCHEMBL1615546 0.81 SCN1A (0.41) SCN1ASCN5ASCN8AALDH1A1MAPT
SCHEMBL1616265 0.81 SCN1A (0.41) SCN1ASCN5ASCN8AMAPTTSHR
SCHEMBL2919481 0.81 SCN1A (0.41) SCN1ASCN5ASCN8AMAPTTSHR
SCHEMBL2926162 0.81 SCN1A (0.41) SCN1ASCN5ASCN8AALDH1A1MAPT
SCHEMBL2242607 0.79 GBA1 (0.40) SCN1ASCN5ASCN8AMAPTTSHR
SCHEMBL1616691 0.78 PFKFB3 (0.39) SCN1ASCN5ASCN8ATSHRSMN1; SMN2
SCHEMBL1616498 0.77 PFKFB3 (0.44) SCN1ASCN5ASCN8AALDH1A1MAPT
SCHEMBL1615434 0.77 NFKBIA (0.42) SCN1ASCN5ASCN8AALDH1A1MAPT
SCHEMBL3844986 0.76 PDPK1 (0.47) GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US claimed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C PRKCQ 1972/4885SCN1A 349/4885SCN5A 35/4885

“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.