SCHEMBL6748889

SCHEMBL6748889

Cc1c(C)c2cc(CCN3CCN(c4noc5ccc(Cl)cc45)CC3)ccc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 5/20 0.41
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CSF1R P07333 1/20 0.40
HTR2A P28223 7/20 0.40
DRD2 P14416 6/20 0.40
HTR1A P08908 4/20 0.40
HRH4 Q9H3N8 1/20 0.40
HTR7 P34969 3/20 0.39
HTR6 P50406 3/20 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
SCHEMBL6746091 0.90 HTR2A (0.47) ABCC1CYP3A4KDM4EALDH1A1HPGD
SCHEMBL6220399 0.88 HTR2A (0.51) HTR2ADRD2HTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL6750990 0.88 HTR2A (0.50) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL6220537 0.84 HTR2A (0.51) ABCC1CYP3A4HTR2ADRD2HTR1A
SCHEMBL6747869 0.76 PARP1 (0.49) ABCC1HTR2ADRD2HTR1AHTR7
SCHEMBL6220906 0.75 HTR1A (0.62) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL6751029 0.74 HTR2A (0.47) HTR2ADRD2HTR1A
SCHEMBL6223321 0.73 HTR1A (0.51) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL6748119 0.73 HTR2A (0.45) HTR2ADRD2HTR1AHRH4HTR7
SCHEMBL6743912 0.73 HTR1A (0.53) HTR2ADRD2HTR1AHTR7HTR6

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 ABCC1 614/4885CYP3A4 1363/4885KDM4E 1123/4885

“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.