SCHEMBL6747869

SCHEMBL6747869

Cc1c(C)c2cc(CCN3CCN(c4n[nH]c5ccccc45)CC3)ccc2[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.49
HTR1A P08908 8/20 0.45
HTR2C P28335 3/20 0.45
DRD2 P14416 4/20 0.45
HTR2A P28223 4/20 0.45
HTR7 P34969 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
TNKS O95271 1/20 0.42
PARP2 Q9UGN5 1/20 0.42

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
SCHEMBL6220906 0.87 HTR1A (0.62) HTR1ADRD2HTR2AHTR7
SCHEMBL6220399 0.84 HTR2A (0.51) HTR1ADRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL6750990 0.83 HTR2A (0.50) HTR1ADRD2HTR2AHTR7
SCHEMBL6747864 0.82 HTR1A (0.44) HTR1ADRD2HTR2AHTR7ABCC1
SCHEMBL6223321 0.79 HTR1A (0.51) HTR1ADRD2HTR2AHTR7
SCHEMBL6743912 0.79 HTR1A (0.53) HTR1ADRD2HTR2AHTR7
SCHEMBL6746368 0.78 HTR1A (0.58) HTR1ADRD2HTR2AHTR7
SCHEMBL6244932 0.77 ABCC1 (0.51) HTR1AHTR2CDRD2HTR2AHTR7
SCHEMBL9778374 0.77 ABCB1 (0.60) PARP1HTR1AHTR2CDRD2HTR2A
SCHEMBL6220537 0.76 HTR2A (0.51) HTR1AHTR2CDRD2HTR2AHTR7

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
CN-1701072-A Heterocyclic substituted piperazines for the treatment of schizophrenia WARNER LAMBERT CO (US) 2005-11-23 CN disclosed
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 PARP1 3011/4885HTR1A 17/4885HTR2C 7/4885

“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.