SCHEMBL6746091

SCHEMBL6746091

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.47
HTR1A P08908 2/20 0.47
HTR7 P34969 3/20 0.45
DRD2 P14416 5/20 0.44
HTR6 P50406 1/20 0.44
ABCC1 P33527 7/20 0.42
CYP3A4 P08684 3/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL6220537 0.93 HTR2A (0.51) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL6748889 0.90 ABCC1 (0.41) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL6220399 0.88 HTR2A (0.51) HTR2AHTR1AHTR7DRD2HTR6
Hydrochloric Acid SCHEMBL6750990 0.88 HTR2A (0.50) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL6743912 0.83 HTR1A (0.53) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL6223321 0.82 HTR1A (0.51) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL6746149 0.79 DRD2 (0.59) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL6747869 0.76 PARP1 (0.49) HTR2AHTR1AHTR7DRD2ABCC1
SCHEMBL6747864 0.75 HTR1A (0.44) HTR2AHTR1AHTR7DRD2ABCC1
SCHEMBL6220906 0.75 HTR1A (0.62) HTR2AHTR1AHTR7DRD2HTR6

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 16/4885HTR1A 17/4885HTR7 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.