SCHEMBL3620798

SCHEMBL3620798

CCOC(=O)c1cc2c(CN3CCNCC3)c(OC)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.46
NOD1 Q9Y239 4/20 0.46
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1B P47901 1/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HTR6 P50406 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL3626113 0.87 MTNR1B (0.43) KDM4EGAAMAPTPOLBHTR6
SCHEMBL3616696 0.87 POLB (0.42) KDM4EGAAMAPTPOLBOXTR
SCHEMBL3621014 0.85 ALDH1A1 (0.43) NOD2NOD1KDM4EGAAMAPT
Trifluoroacetic Acid SCHEMBL3614683 0.83 DDR1 (0.40) KDM4EGAAMAPTPOLBPTGDR
Trifluoroacetic Acid SCHEMBL3614583 0.83 HTR6 (0.39) KDM4EGAAMAPTPOLBPTGDR
SCHEMBL13120048 0.80 ALDH1A1 (0.45) KDM4EGAAMAPTPOLBALDH1A1
SCHEMBL3622768 0.80 NOD2 (0.53) NOD2NOD1KDM4EGAAMAPT
SCHEMBL3622335 0.79 NOD2 (0.53) NOD2NOD1KDM4EGAAMAPT
SCHEMBL3620477 0.79 NOD2 (0.53) NOD2NOD1KDM4EGAAMAPT
SCHEMBL3624788 0.77 ALDH1A1 (0.44) KDM4EGAAMAPTPOLBHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP claimed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US claimed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP claimed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US claimed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO claimed
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A NOD2 1873/4885NOD1 1857/4885KDM4E 3665/4885

“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.