SCHEMBL2280413

SCHEMBL2280413

CCOC(=O)c1cc(COc2ccc(Cl)cc2OC2CN(C(=O)OC(C)(C)C)C2)oc1C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.55
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR6 P50406 2/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
RBP4 P02753 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX15 P16050 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36

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
SCHEMBL2284559 0.90 SLC6A4 (0.58) SLC6A4MEN1KMT2ANPSR1HTR6
SCHEMBL2287560 0.84 SLC6A4 (0.59) SLC6A4HTR6
SCHEMBL2285124 0.82 SLC6A4 (0.55) SLC6A4HTR6RBP4CACNB4CACNA1A
SCHEMBL2281213 0.78 SMN1; SMN2 (0.45) SLC6A4MEN1ALDH1A1LMNAGAA
SCHEMBL2279880 0.74 SLC6A4 (0.64) SLC6A4HTR6RBP4CACNB4CACNA1A
SCHEMBL2284479 0.74 RBP4 (0.53) SLC6A4HTR6RBP4CACNB4CACNA1A
SCHEMBL2285248 0.73 NPC1 (0.42) SLC6A4KMT2AHTR6RBP4NPC1
SCHEMBL2283081 0.73 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL2282751 0.72 SLC6A4 (0.61) SLC6A4HTR6RBP4CACNB4CACNA1A
Trifluoroacetic Acid SCHEMBL2287857 0.71 SLC6A4 (0.61) 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 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 19/4885MEN1 2847/4885ALDH1A1 3730/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A SLC6A4 19/4885MEN1 2903/4885ALDH1A1 3913/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C SLC6A4 19/4885MEN1 2395/4885ALDH1A1 2351/4885

“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.