SCHEMBL2530941

SCHEMBL2530941

CC1=CN(c2cccc(C(N)=O)c2C2CCC(CCN3CCC(C(=O)c4ccc(F)cc4F)CC3)CC2)NO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2A P28223 9/20 0.36
DRD2 P14416 3/20 0.36
GRM2 Q14416 3/20 0.35
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL2529517 0.81 HTR2A (0.35) HTR2ADRD2OPRL1DRD3
SCHEMBL228443 0.78 MEN1 (0.41) MEN1KMT2AKCNH2HTR2ADRD2
SCHEMBL2530944 0.78 DRD3 (0.43) MEN1KMT2AHTR2ADRD2HTR7
SCHEMBL2533786 0.74 HTR2A (0.46) MEN1KMT2AKCNH2HTR2ADRD2
SCHEMBL225964 0.73 HTR2A (0.46) MEN1KMT2AKCNH2HTR2ADRD2
SCHEMBL227514 0.73 HTR2A (0.46) MEN1KMT2AKCNH2HTR2ADRD2
SCHEMBL225965 0.73 HTR2A (0.46) MEN1KMT2AKCNH2HTR2ADRD2
SCHEMBL229932 0.73 HTR2A (0.47) MEN1KMT2AKCNH2HTR2ADRD2
SCHEMBL228857 0.73 HTR2A (0.47) MEN1KMT2AKCNH2HTR2ADRD2
SCHEMBL225944 0.71 KCNH2 (0.43) MEN1KMT2AKCNH2HTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 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-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C MEN1 3878/4885KMT2A 856/4885KCNH2 933/4885

“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.