SCHEMBL1749334

SCHEMBL1749334

COc1ccc(Cl)cc1C(C)Nc1cc(F)ccc1S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
CCR2 P41597 4/20 0.48
TSHR P16473 2/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 1/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
TRPV4 Q9HBA0 1/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
SCN1A P35498 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN8A Q9UQD0 2/20 0.39
ACLY P53396 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL1748066 0.87 HTR6 (0.66) HTR6CCR2ADRA1DADRA1AADRA1B
SCHEMBL5021127 0.83 HTR6 (0.50) HTR6CCR2ADRA1DADRA1AADRA1B
SCHEMBL5021092 0.81 CCR2 (0.47) HTR6CCR2ADRA1DADRA1AADRA1B
SCHEMBL1748381 0.80 HTR6 (0.48) HTR6CCR2ADRA1DADRA1AADRA1B
SCHEMBL475383 0.79 HTR6 (0.80) HTR6TSHRHTR2AADRA1BACLY
Hydrochloric Acid SCHEMBL1748287 0.78 HTR6 (0.79) HTR6HTR2AADRA1B
SCHEMBL5321618 0.78 SCN1A (0.44) HTR6CCR2SCN1ASCN5ASCN8A
SCHEMBL1748401 0.77 CCR2 (0.49) HTR6CCR2ADRA1DADRA1AADRA1B
SCHEMBL1748290 0.76 HTR6 (0.44) HTR6CCR2ADRA1DADRA1AADRA1B
SCHEMBL5021157 0.75 CCR2 (0.43) HTR6CCR2ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US 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-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 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 (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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B HTR6 1/4885CCR2 1022/4885TSHR 142/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B HTR6 1/4885CCR2 1022/4885TSHR 142/4885

“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.