SCHEMBL3605055

SCHEMBL3605055

C[C@H]1CCCN1c1c[c]ccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.41
PDK2 Q15119 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SLC18A3 Q16572 1/20 0.35
JAK3 P52333 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
PBRM1 Q86U86 6/20 0.34
SMARCA2 P51531 5/20 0.34
SMARCA4 P51532 4/20 0.34
NR1I2 O75469 2/20 0.34
NR1H2 P55055 1/20 0.34
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
CDC42BPA Q5VT25 2/20 0.33

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
SCHEMBL3606592 1.00 AR (0.41) ARPDK2MAOAMAOBBCHE
SCHEMBL3614226 1.00 AR (0.41) ARPDK2MAOAMAOBBCHE
SCHEMBL3604734 0.95 MAOA (0.43) ARPDK2MAOAMAOBBCHE
SCHEMBL3612029 0.95 MAOA (0.43) ARPDK2MAOAMAOBBCHE
SCHEMBL3611521 0.95 MAOA (0.43) ARPDK2MAOAMAOBBCHE
SCHEMBL3614369 0.90 SLC18A3 (0.34) ARMAOAMAOBSLC18A3
SCHEMBL3607485 0.90 SLC18A3 (0.34) ARMAOAMAOBSLC18A3
SCHEMBL3611590 0.90 SLC18A3 (0.34) ARMAOAMAOBSLC18A3
SCHEMBL3608911 0.80 KMT2A (0.32)
SCHEMBL3603226 0.80 KMT2A (0.32)

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-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 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-101421264-A Is suitable for treating serotonin 5HT6Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2009-04-29 CN 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
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

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-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 AR 241/4885PDK2 153/4885MAOA 3108/4885
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A AR 606/4885PDK2 4036/4885MAOA 71/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C AR 927/4885PDK2 4093/4885MAOA 102/4885

“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.