SCHEMBL2280104

SCHEMBL2280104

CC(Oc1ccc(Cl)cc1OC1CN(OC(=O)C(F)(F)F)C1)c1cc(Cl)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.50
HTR6 P50406 1/20 0.43

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
SCHEMBL2282794 0.90 SLC6A4 (0.49) SLC6A4
SCHEMBL2280960 0.85 SLC6A4 (0.54) SLC6A4HTR6
SCHEMBL2283792 0.82 SLC6A4 (0.73) SLC6A4HTR6
Trifluoroacetic Acid SCHEMBL2280100 0.80 SLC6A4 (0.61) SLC6A4HTR6
SCHEMBL2287842 0.79 SLC6A4 (0.40) SLC6A4HTR6
SCHEMBL2282282 0.78 HTR2C (0.44) SLC6A4
SCHEMBL2281964 0.76 HTR2C (0.47) SLC6A4HTR6
SCHEMBL2287592 0.76 SLC6A4 (0.55) SLC6A4HTR6
SCHEMBL2285170 0.74 SLC6A4 (0.58) SLC6A4HTR6
SCHEMBL2285739 0.74 SLC6A4 (0.73) SLC6A4HTR6

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 6/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A SLC6A4 19/4885HTR6 6/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C SLC6A4 19/4885HTR6 4/4885

“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.