SCHEMBL2279880

SCHEMBL2279880

CC(C)(C)OC(=O)N1CC(Oc2cc(Cl)ccc2OCc2cccc(C(F)(F)F)n2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.64
HTR2C P28335 3/20 0.64
HTR2B P41595 3/20 0.64
MRGPRX4 Q96LA9 3/20 0.44
HTR6 P50406 2/20 0.44
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNB3 P54284 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNG7 P62955 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNG1 Q06432 1/20 0.42
CACNB2 Q08289 1/20 0.42
CACNA1S Q13698 1/20 0.42

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
SCHEMBL2282366 0.80 SLC6A4 (0.65) SLC6A4HTR2CHTR2BHTR6
SCHEMBL2281721 0.79 SLC6A4 (1.00) SLC6A4HTR2CHTR2BHTR6HTR2A
SCHEMBL2285124 0.78 SLC6A4 (0.55) SLC6A4HTR6CACNB4CACNA1ACACNA1G
SCHEMBL2282751 0.78 SLC6A4 (0.61) SLC6A4HTR2CHTR2BHTR6CACNB4
SCHEMBL2284479 0.77 RBP4 (0.53) SLC6A4HTR6CACNB4CACNA1ACACNA1G
SCHEMBL2285248 0.77 NPC1 (0.42) SLC6A4HTR6CACNB4CACNA1ACACNA1G
SCHEMBL2284961 0.77 SLC6A4 (0.69) SLC6A4HTR2CHTR2BHTR6
SCHEMBL2286679 0.77 SLC6A4 (0.59) SLC6A4HTR2CHTR2BHTR6CACNB4
SCHEMBL2284559 0.76 SLC6A4 (0.58) SLC6A4HTR6CACNB4CACNA1ACACNA1G
SCHEMBL2282955 0.75 SLC6A4 (0.67) SLC6A4HTR2CHTR2BHTR6HTR2A

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 19/4885HTR2C 1/4885HTR2B 5/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A SLC6A4 19/4885HTR2C 1/4885HTR2B 5/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C SLC6A4 19/4885HTR2C 3/4885HTR2B 5/4885

“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.