SCHEMBL475619

SCHEMBL475619

COc1cc(CNc2cc(N3CCNCC3)ccc2C(=O)C(F)(F)F)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.46
HTR6 P50406 7/20 0.42
GUSB P08236 2/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
ABCB1 P08183 2/20 0.39
AOC3 Q16853 1/20 0.39
TGFBR1 P36897 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MAPKAPK2 P49137 1/20 0.38

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
Hydrochloric Acid SCHEMBL1748218 0.99 ADRB1 (0.45) ADRB1HTR6GUSBHTR3EHTR3B
SCHEMBL3919507 0.90 HTR6 (0.48) ADRB1HTR6GUSBHTR3EHTR3B
Hydrochloric Acid SCHEMBL5276815 0.90 HTR6 (0.47) ADRB1HTR6GUSBHTR3EHTR3B
SCHEMBL5389938 0.88 HTR6 (0.42) HTR6ALDH1A1MAPTGAAAURKA
SCHEMBL1748204 0.85 HTR6 (0.50) ADRB1HTR6GUSBHTR3EHTR3B
SCHEMBL1748250 0.84 SMN1; SMN2 (0.51) ABCB1ALDH1A1MAPTHTT
SCHEMBL3920646 0.84 HTR6 (0.50) ADRB1HTR6GUSBABCB1MAPT
Hydrochloric Acid SCHEMBL1748368 0.84 HTR6 (0.49) ADRB1HTR6GUSBHTR3EHTR3B
SCHEMBL475403 0.82 ADRB1 (0.45) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL475607 0.81 ADRB1 (0.44) ADRB1HTR6HTR3EHTR3BHTR3A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP claimed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US claimed
US-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC (US) 2010-06-17 US claimed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP claimed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US claimed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO claimed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
EP-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC (US) 2010-06-17 US disclosed
EP-2037925-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS Epix Delaware, Inc. (US) 2009-03-25 EP disclosed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 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-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS HTR6, HTR3B, HTR1B ADRB1 85/4885HTR6 1/4885GUSB 916/4885
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B ADRB1 54/4885HTR6 1/4885GUSB 2241/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B ADRB1 54/4885HTR6 1/4885GUSB 2241/4885

“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.