SCHEMBL2279816

SCHEMBL2279816

Cc1cc(CO)c(C(F)(F)F)o1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.35
ALOX5 P09917 1/20 0.35
SHBG P04278 1/20 0.33
S1PR1 P21453 1/20 0.30
ACKR3 P25106 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL8272925 0.82 NQO1 (0.34) ALOX5ACKR3PTGER4
SCHEMBL3373368 0.80 ALOX5 (0.32) ALOX5
SCHEMBL13242141 0.78 GABRB3 (0.31)
SCHEMBL13220752 0.78
SCHEMBL12884424 0.77 BCL2 (0.33)
SCHEMBL16373610 0.77 SLC6A4 (0.37) SLC6A4ACKR3
SCHEMBL6957890 0.75 KDM4E (0.41) ALOX5PTGER4
SCHEMBL6957884 0.74 PTGER4 (0.33) ALOX5ACKR3PTGER4
SCHEMBL9224864 0.73 SLC6A4 (0.39) SLC6A4
SCHEMBL12889274 0.73 ACKR3 (0.36) ALOX5ACKR3

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 SLC6A4 19/4885ALOX5 720/4885SHBG 339/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A SLC6A4 19/4885ALOX5 863/4885SHBG 389/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C SLC6A4 19/4885ALOX5 654/4885SHBG 308/4885

“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.