SCHEMBL2284584

SCHEMBL2284584

O=Cc1cc(Br)ccc1OCc1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.65
SLC6A4 P31645 7/20 0.55
HTR6 P50406 2/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.51

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
SCHEMBL30679646 1.00 CCR5 (0.65) CCR5SLC6A4HTR6HTR2AHTR2C
SCHEMBL2284712 0.89 ENPP2 (0.54) CCR5SLC6A4HTR6CYP1A2CYP2C9
SCHEMBL7150434 0.85 MAOB (0.60)
SCHEMBL29689869 0.85 CCR5 (0.63) CCR5SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL5699666 0.85 CCR5 (0.63) CCR5SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL29690396 0.84 PTGDR2 (0.61) CCR5SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL82269 0.84 PTGDR2 (0.61) CCR5SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL2288692 0.84 SLC6A4 (0.53) CCR5SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL7398748 0.83 ENPP2 (0.61) CCR5CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL29227218 0.82 CCR5 (0.56) CCR5SLC6A4MAPTPTGDR2

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-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
WO-2010059393-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 WO 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 CCR5 1148/4885SLC6A4 19/4885HTR6 6/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A CCR5 1350/4885SLC6A4 19/4885HTR6 6/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C CCR5 1564/4885SLC6A4 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.