SCHEMBL1748204

SCHEMBL1748204

O=C(c1ccc(N2CCNCC2)cc1NCc1cc(Cl)cc(Cl)c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.50
ADRB1 P08588 4/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ACLY P53396 2/20 0.42
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
GAA P10253 2/20 0.41
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40

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 SCHEMBL1748368 0.99 HTR6 (0.49) HTR6ADRB1CHRM2CHRM4CHRM1
SCHEMBL5272631 0.90 HTR6 (0.46) HTR6ADRB1CHRM2CHRM4CHRM1
SCHEMBL5280148 0.87 ACLY (0.43) HTR6ACLYALDH1A1MAPTHTT
SCHEMBL475569 0.85 HDAC4 (0.47) HTR6AOC3ALDH1A1MAPTHTT
SCHEMBL475619 0.85 ADRB1 (0.46) HTR6ADRB1AOC3ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1748931 0.84 HDAC4 (0.46) HTR6AOC3ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL1748218 0.84 ADRB1 (0.45) HTR6ADRB1AOC3ALDH1A1MAPT
SCHEMBL1748702 0.82 SMN1; SMN2 (0.50) ALDH1A1MAPTHTTTP53CYP2C19
SCHEMBL475388 0.80 HPGD (0.46) HTR6ADRB1CHRM2CHRM4CHRM1
SCHEMBL4137576 0.79 HTR6 (0.60) HTR6AOC3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1/4885ADRB1 54/4885CHRM2 113/4885

“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.