SCHEMBL2065463

SCHEMBL2065463

CC(C)CNCCOc1c(NC(=O)c2cccc(C(F)(F)F)c2)cccc1-c1c(Cl)cnn1C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.62
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KCNE1 P15382 2/20 0.42
KCNQ1 P51787 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
HTR2C P28335 3/20 0.41
GAA P10253 1/20 0.41
BRAF P15056 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CSF1R P07333 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL16348612 0.87 HTR2A (0.58) HTR2AKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL883908 0.85 HTR2A (0.84) HTR2AHTR2C
SCHEMBL2064939 0.83 HTR2A (0.55) HTR2AHTR2CBRAF
SCHEMBL883991 0.77 HTR2A (1.00) HTR2AHTR2C
SCHEMBL884249 0.77 HTR2A (0.88) HTR2AHTR2C
SCHEMBL883986 0.76 HTR2A (0.90) HTR2AHTR2C
SCHEMBL884067 0.76 HTR2A (0.90) HTR2AHTR2C
SCHEMBL27752646 0.75 HTR2A (0.56) HTR2AKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2064071 0.75 HTR2A (0.84) HTR2AHTR2C
SCHEMBL15788651 0.75 HTR2A (0.85) HTR2AKCNQ3KCNQ2KCNE1KCNQ1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45337-E1 Ethers, secondary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8148418-B2 Ethers, secondary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2012-04-03 US disclosed
US-20090186895-A1 ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-07-23 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 (1 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-20090186895-A1 ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR2A, HTR5A, HTR2C HTR2A 1/4885KCNQ3 1007/4885KCNQ2 692/4885

“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.