SCHEMBL3626255

SCHEMBL3626255

CCOc1ccc2c(ccn2S(=O)(=O)c2cc(C)ccc2OC)c1CN(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 5/20 0.43
HTR6 P50406 2/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
CPT2 P23786 2/20 0.41
CPT1A P50416 2/20 0.41
CPT1B Q92523 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MCOLN3 Q8TDD5 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
SCHEMBL3623289 0.93 RECQL (0.50) RECQLMAPK1KMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3617556 0.92 CPT2 (0.42) RECQLNPC1RAB9AMAPK1HSD17B10
SCHEMBL3618370 0.85 MCOLN3 (0.44) RECQLKMT2ATSHRHTR6POLB
Trifluoroacetic Acid SCHEMBL3615844 0.85 CPT2 (0.45) RECQLMAPK1KMT2AMEN1TSHR
SCHEMBL3622916 0.82 HTR6 (0.60) RECQLKMT2ASMN1; SMN2TSHRHTR6
SCHEMBL3610185 0.81 TSHR (0.50) KMT2AMEN1SMN1; SMN2TSHRHTR6
SCHEMBL3622471 0.80 TSHR (0.46) RECQLKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL3624772 0.80 HTR6 (0.45) NPC1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL3624610 0.79 HTR6 (0.38) NPC1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL3622623 0.79 HTR6 (0.52) HTR6

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
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
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 RECQL 809/4885NPC1 678/4885RAB9A 1189/4885

“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.