SCHEMBL2288086

SCHEMBL2288086

O=C(ON1CC(Oc2cc(Br)ccc2OCc2ccccc2Cl)C1)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.59
HTR6 P50406 1/20 0.59
PTGER1 P34995 1/20 0.44
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL2285170 0.90 SLC6A4 (0.58) SLC6A4HTR6PTGER1S1PR1S1PR5
SCHEMBL2282636 0.85 SLC6A4 (0.58) SLC6A4HTR6
SCHEMBL2282642 0.81 SLC6A4 (0.67) SLC6A4HTR6
Trifluoroacetic Acid SCHEMBL2288082 0.81 SLC6A4 (0.80) SLC6A4HTR6
SCHEMBL2284159 0.80 SLC6A4 (0.71) SLC6A4HTR6
SCHEMBL3380478 0.78 SLC6A4 (0.69) SLC6A4HTR6
SCHEMBL2287592 0.76 SLC6A4 (0.55) SLC6A4HTR6
SCHEMBL2285399 0.75 SLC6A4 (1.00) SLC6A4HTR6
SCHEMBL2277167 0.71 DHODH (0.37)
SCHEMBL21722955 0.71 SCN9A (0.43)

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-9981909-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 US disclosed
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-8642583-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-02-04 US disclosed
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 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 (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-20140038943-A1 SEROTONIN RECEPTOR MODULATOR HTR2C, HTR2A, HTR1A SLC6A4 19/4885HTR6 6/4885PTGER1 296/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A SLC6A4 19/4885HTR6 6/4885PTGER1 323/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C SLC6A4 19/4885HTR6 4/4885PTGER1 183/4885

“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.