SCHEMBL6748040

SCHEMBL6748040

O=c1[nH]c2ccc(CCCN3CCN(c4nsc5ccccc45)CC3)cc2c2c1COC2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.52
HTR7 P34969 5/20 0.52
DRD2 P14416 4/20 0.51
HTR2A P28223 4/20 0.51
HTR6 P50406 3/20 0.51
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL6746307 0.95 HTR1A (0.58) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6747707 0.88 HTR1A (0.52) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6218931 0.85 HTR1A (0.59) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6743954 0.84 HTR1A (0.60) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6746400 0.83 HTR1A (0.58) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6744254 0.81 HTR1A (0.52) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6220906 0.81 HTR1A (0.62) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6751029 0.78 HTR2A (0.47) HTR1ADRD2HTR2A
SCHEMBL6746368 0.78 HTR1A (0.58) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6750997 0.77 DRD2 (0.60) HTR1AHTR7DRD2HTR2AHTR6

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 HTR1A 17/4885HTR7 119/4885DRD2 2/4885

“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.