SCHEMBL3605536

SCHEMBL3605536

COc1[c]cc(N2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.46
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HSD17B10 Q99714 3/20 0.46
HTT P42858 3/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 3/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 4/20 0.43
CYP1A2 P05177 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL3608882 0.84 ALDH1A1 (0.41) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL6366674 0.83 L3MBTL1 (0.41) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL4170677 0.81 MAPT (0.46) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL3140169 0.75 TGFBR1 (0.43) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL2208450 0.74 AKR1C3 (0.68) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL23166136 0.74 ALDH1A1 (0.47) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL574469 0.74 LGMN (0.50) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL9093746 0.73 LMNA (0.71) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL4349056 0.73 AKR1C3 (0.66) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL28109389 0.71 PRKDC (0.42) MAPTALDH1A1KDM4EKMT2AMEN1

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
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-02-25 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-2074110-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-07-01 EP disclosed
CN-101421234-A Is suitable for treating p-hydroxytryptamine 5HT6Heterocyclic aryl sulfones of receptor-modulated responsive disorders ABBOTT GMBH (DE) 2009-04-29 CN disclosed
CN-101421264-A Is suitable for treating serotonin 5HT6Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2009-04-29 CN disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
US-20050004136-A1 Novel amidoalkyl-piperidine and amidoalkyl-piperazine derivatives useful as neurokinin receptor modulators PAN KEVIN (US) 2005-01-06 US 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 (3 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-20050004136-A1 Novel amidoalkyl-piperidine and amidoalkyl-piperazine derivatives useful as neurokinin receptor modulators OPRL1, NPSR1, NPFFR1 MAPT 610/4885ALDH1A1 4261/4885KDM4E 3902/4885
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A MAPT 3172/4885ALDH1A1 527/4885KDM4E 3032/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C MAPT 2565/4885ALDH1A1 1061/4885KDM4E 3143/4885

“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.