SCHEMBL6743930

SCHEMBL6743930

Cc1cc(CCN2CCN(c3noc4cc(F)ccc34)CC2)cc2c1NC(=O)CC2(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.48
DRD2 P14416 12/20 0.48
HTR7 P34969 5/20 0.46
HTR1A P08908 7/20 0.44
KCNH2 Q12809 2/20 0.43
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR6 P50406 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SLC22A2 O15244 1/20 0.37
CACNA1F O60840 1/20 0.37
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6747711 0.93 HTR2A (0.48) HTR2ADRD2HTR7HTR1AKCNH2
SCHEMBL6748066 0.92 HTR2A (0.47) HTR2ADRD2HTR7HTR1AHTR1D
SCHEMBL6750984 0.89 HTR2A (0.56) HTR2ADRD2HTR7HTR1AHTR6
SCHEMBL6748119 0.85 HTR2A (0.45) HTR2ADRD2HTR7HTR1AHTR6
SCHEMBL6220169 0.84 HTR2A (0.53) HTR2ADRD2HTR7HTR1AHTR6
SCHEMBL6748822 0.84 HTR2A (0.49) HTR2ADRD2HTR7HTR1AKCNH2
SCHEMBL6220794 0.82 HTR2A (0.49) HTR2ADRD2HTR7HTR1AKCNH2
SCHEMBL6188819 0.81 HTR2A (0.46) HTR2ADRD2HTR7HTR1AKCNH2
SCHEMBL6186005 0.81 HTR2A (0.46) HTR2ADRD2HTR7HTR1AKCNH2
SCHEMBL6187114 0.80 HTR2A (0.45) HTR2ADRD2HTR7HTR1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia CNR1, DRD2, CNR2 HTR2A 16/4885DRD2 2/4885HTR7 119/4885

“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.