SCHEMBL475403

SCHEMBL475403

COc1cc(OC)cc(C(C)Nc2cc(N3CCNCC3)ccc2C(=O)C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR6 P50406 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ABCB1 P08183 3/20 0.39
TGFBR1 P36897 1/20 0.39
ABHD6 Q9BV23 1/20 0.38
SOS1 Q07889 1/20 0.37
ACVR1 Q04771 1/20 0.37
CYP2C9 P11712 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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 SCHEMBL1748341 0.99 ADRB1 (0.44) ADRB1HPGDSMN1; SMN2HTR6HTR1A
SCHEMBL475613 0.92 ADRB1 (0.48) ADRB1HPGDSMN1; SMN2HTR6HTR1A
SCHEMBL475388 0.86 HPGD (0.46) ADRB1HPGDSMN1; SMN2HTR6HTR1A
SCHEMBL475541 0.86 SMN1; SMN2 (0.60) HPGDSMN1; SMN2HTR6CNR1
SCHEMBL475393 0.86 SMN1; SMN2 (0.60) HPGDSMN1; SMN2HTR6CNR1
SCHEMBL475608 0.86 SMN1; SMN2 (0.60) HPGDSMN1; SMN2HTR6CNR1
Hydrochloric Acid SCHEMBL1748277 0.85 HPGD (0.46) ADRB1HPGDSMN1; SMN2HTR6HTR1A
Hydrochloric Acid SCHEMBL1748452 0.85 SMN1; SMN2 (0.59) HPGDSMN1; SMN2HTR6CNR1
Hydrochloric Acid SCHEMBL1748959 0.85 SMN1; SMN2 (0.59) HPGDSMN1; SMN2HTR6CNR1
Hydrochloric Acid SCHEMBL1748451 0.85 SMN1; SMN2 (0.59) HPGDSMN1; SMN2HTR6CNR1

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-2037925-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS Epix Delaware, Inc. (US) 2009-03-25 EP claimed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 WO claimed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US 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 85/4885HPGD 1316/4885SMN1; SMN2 2720/4885
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B ADRB1 54/4885HPGD 2326/4885SMN1; SMN2 3858/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B ADRB1 54/4885HPGD 2326/4885SMN1; SMN2 3858/4885

“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.