SCHEMBL1994140

SCHEMBL1994140

Brc1c(OCc2ccccc2)ccc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A4 P31645 1/20 0.43
MAPK14 Q16539 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
PPARG P37231 1/20 0.41
RIN1 Q13671 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AHR P35869 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
SCHEMBL30390986 0.82 L3MBTL1 (0.56) DRD2DRD4DRD3MAPK14L3MBTL1
SCHEMBL8546338 0.82 MAPK14 (0.43) DRD2DRD4DRD3SLC6A4MAPK14
SCHEMBL3909627 0.82 DRD2 (0.43) DRD2DRD4DRD3SLC6A4L3MBTL1
SCHEMBL29415608 0.80 DRD4 (0.63) DRD2DRD4DRD3SLC6A4L3MBTL1
SCHEMBL746079 0.80 DRD4 (0.63) DRD2DRD4DRD3SLC6A4L3MBTL1
SCHEMBL3897534 0.79 POLB (0.43) DRD2DRD4DRD3L3MBTL1MAPT
SCHEMBL18683086 0.78 NPC1 (0.62) DRD2DRD4DRD3MAPK14L3MBTL1
SCHEMBL9315420 0.77 MITF (0.47) DRD2DRD4DRD3L3MBTL1MAPT
SCHEMBL1400228 0.76 PPARD (0.44) DRD2DRD4DRD3L3MBTL1NSD2
SCHEMBL3621324 0.76 LTA4H (0.46) DRD2DRD4DRD3SLC6A4L3MBTL1

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 11 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 disclosed
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
CN-101547927-A 8-sulfonyl-l, 3, 4, 8-tetrahydr0-2h- [1, 4] oxazepino [6, 7-e] indole derivatives and their use as 5-ht6 receptor ligands BIOVITRUM AB PUBL (SE) 2009-09-30 CN disclosed
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
CN-101484420-A Indoles as 5-HT 6 modulators BIOVITRUM AB PUBL (SE) 2009-07-15 CN disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 WO 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 (2 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 DRD2 41/4885DRD4 73/4885DRD3 77/4885
US-20080176829-A1 Compounds HTR6, HTR1B, HTR1A DRD2 96/4885DRD4 139/4885DRD3 174/4885

“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.