SCHEMBL327420

SCHEMBL327420

Fc1ccccc1C(OC(c1ccc(Br)cc1)c1ccccc1F)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.51
TDO2 P48775 5/20 0.51
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2A P28223 1/20 0.36
IGF1R P08069 1/20 0.35
ESR1 P03372 1/20 0.35
NAAA Q02083 1/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC4 P56524 2/20 0.33

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
SCHEMBL483569 0.83 MAOB (0.48) IDO1TDO2NPC1RAB9A
SCHEMBL327421 0.79 IDO1 (0.51) IDO1TDO2CHRM2HTR1AADRA2A
SCHEMBL3597509 0.76 HTR2A (0.54) IDO1TDO2CHRM2HTR1AADRA2A
SCHEMBL16111990 0.76 IGF1R (0.42) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL16111744 0.76 HTR2A (0.37) IDO1TDO2HTR2AIGF1RLMNA
SCHEMBL9729013 0.76 HTR2A (0.41) IDO1TDO2HTR2AIGF1RLMNA
SCHEMBL16142244 0.71 ALDH1A1 (0.40) IDO1TDO2HTR2AIGF1RNAAA
SCHEMBL16142280 0.70 HDAC4 (0.49) HDAC4MEN1KMT2AGAA
SCHEMBL16111406 0.69 HDAC4 (0.48) HDAC4KMT2AALDH1A1
SCHEMBL4570033 0.69 LDHA (0.38) IDO1TDO2SLC6A4LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153681-B2 Method of treating epilepsy by administering 5-(4{[(2-fluorophenyl)methyl]oxy}phenyl)prolinamide Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8143306-B2 Methods of treating bipolar disorders Convergence Pharmaceuticals Limited (GB) 2012-03-27 US disclosed
US-8093268-B2 Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-) GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
EP-2117535-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 EP disclosed
EP-2117562-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 EP disclosed
US-20110098335-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2011-04-28 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-20110098335-A1 NOVEL COMPOUNDS SCN1A, SCN1B, SCNN1B IDO1 3580/4885TDO2 3324/4885CHRM2 722/4885

“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.