SCHEMBL3608233

SCHEMBL3608233

FC(F)(F)c1c[c]cc(N2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.44
ALDH1A1 P00352 4/20 0.40
SIGMAR1 Q99720 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2C P28335 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 3/20 0.35
HTT P42858 3/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
AR P10275 2/20 0.34
AKR1C3 P42330 1/20 0.33
TSHR P16473 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
SCHEMBL1653981 0.84 AKR1C3 (0.47) ADRB1ALDH1A1SIGMAR1HTR3EHTR3B
SCHEMBL17911875 0.84 ALDH1A1 (0.46) ADRB1ALDH1A1SIGMAR1HTR3EHTR3B
SCHEMBL18039680 0.84 ADRB1 (0.41) ADRB1ALDH1A1SIGMAR1HTR3EHTR3B
SCHEMBL28685731 0.82 ADRB1 (0.39) ADRB1ALDH1A1SIGMAR1HTR3EHTR3B
SCHEMBL1654757 0.82 MAPT (0.43) ADRB1ALDH1A1SIGMAR1HTR3EHTR3B
SCHEMBL28692628 0.80 MAPT (0.41) ADRB1ALDH1A1SIGMAR1HTR3EHTR3B
SCHEMBL28699496 0.80 CHRNA7 (0.44) ADRB1ALDH1A1SIGMAR1MAPTLMNA
SCHEMBL28689863 0.78 SIGMAR1 (0.39) ADRB1ALDH1A1SIGMAR1MAPTLMNA
SCHEMBL28692744 0.78 ALDH1A1 (0.51) ALDH1A1SIGMAR1MAPTMAPK1SMN1; SMN2
SCHEMBL19011735 0.78 ADRB1 (0.68) ADRB1ALDH1A1SIGMAR1HTR3EHTR3B

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 10 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

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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A ADRB1 119/4885ALDH1A1 527/4885SIGMAR1 136/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C ADRB1 211/4885ALDH1A1 1061/4885SIGMAR1 160/4885

“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.