SCHEMBL2398607

SCHEMBL2398607

CC(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.60
HTR2B P41595 3/20 0.60
HTR2C P28335 2/20 0.60
ADRA2C P18825 2/20 0.54
SLC6A4 P31645 2/20 0.54
ADRA1A P35348 2/20 0.54
DRD3 P35462 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
OPRK1 P41145 1/20 0.54
EPHX1 P07099 5/20 0.52
CYP3A4 P08684 3/20 0.52
USP2 O75604 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
NR1I2 O75469 1/20 0.52
ADRB1 P08588 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52

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
SCHEMBL7612638 0.89 HTR2A (0.66) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL13235906 0.85 HTR2A (0.64) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL27274983 0.84 HTR2A (0.67) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL15881786 0.84 HTR2A (0.67) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL27774511 0.82 HTR2A (0.53) HTR2AHTR2BHTR2CADRA2CSLC6A4
Nordexfenfluramine SCHEMBL16673896 0.82 HTR2A (0.84) HTR2AHTR2BHTR2CADRA2CSLC6A4
Nordexfenfluramine SCHEMBL16673917 0.82 HTR2A (0.84) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL12440296 0.81 HTR2A (0.59) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL27810056 0.80 MEN1 (0.52) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL31273982 0.80 HTR2A (0.60) HTR2AHTR2BHTR2CADRA2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC HTR2A 1960/4885HTR2B 1710/4885HTR2C 1877/4885

“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.