SCHEMBL2064939

SCHEMBL2064939

Cn1ncc(Cl)c1-c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1OCCNC1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.55
HTR2C P28335 2/20 0.47
KCNH2 Q12809 1/20 0.44
RAF1 P04049 8/20 0.43
BRAF P15056 5/20 0.43
AKT1 P31749 1/20 0.42
LCK P06239 1/20 0.41
MAPK14 Q16539 1/20 0.41
WDR5 P61964 1/20 0.41
CCR2 P41597 1/20 0.41

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
SCHEMBL2064645 0.86 HTR2A (0.74) HTR2AHTR2CKCNH2RAF1BRAF
SCHEMBL16348612 0.84 HTR2A (0.58) HTR2AHTR2CBRAF
SCHEMBL2065463 0.83 HTR2A (0.62) HTR2AHTR2CBRAF
SCHEMBL884110 0.81 HTR2A (0.79) HTR2AHTR2CKCNH2
SCHEMBL2064239 0.79 HTR2A (0.75) HTR2AHTR2CKCNH2LCKMAPK14
SCHEMBL884074 0.78 HTR2A (0.74) HTR2AHTR2CKCNH2AKT1
SCHEMBL2065049 0.78 HTR2A (0.76) HTR2AHTR2CKCNH2
SCHEMBL2065221 0.76 HTR2A (0.73) HTR2AHTR2CKCNH2
SCHEMBL884156 0.75 HTR2A (0.69) HTR2AHTR2CKCNH2LCKMAPK14
SCHEMBL2064360 0.75 HTR2A (0.69) HTR2AHTR2CKCNH2

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 1/4885HTR2C 3/4885KCNH2 1018/4885

“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.