SCHEMBL6744864

SCHEMBL6744864

CC1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc2N(C(C)C#N)C1=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.52
HTR1A P08908 11/20 0.52
KCNH2 Q12809 10/20 0.52
HTR7 P34969 1/20 0.51
DRD2 P14416 9/20 0.51

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
SCHEMBL6747852 0.87 HTR1A (0.55) HTR2AHTR1AKCNH2HTR7DRD2
SCHEMBL6748875 0.86 HTR2A (0.56) HTR2AHTR1AKCNH2HTR7DRD2
SCHEMBL6748850 0.85 HTR2A (0.54) HTR2AHTR1AKCNH2HTR7DRD2
SCHEMBL6747870 0.85 HTR1A (0.51) HTR2AHTR1AKCNH2HTR7DRD2
SCHEMBL6750960 0.84 HTR2A (0.56) HTR2AHTR1AKCNH2HTR7DRD2
SCHEMBL6747881 0.81 HTR1A (0.53) HTR2AHTR1AKCNH2HTR7DRD2
SCHEMBL6219497 0.81 HTR1A (0.55) HTR2AHTR1AKCNH2HTR7DRD2
SCHEMBL6751007 0.79 HTR1A (0.54) HTR2AHTR1AKCNH2HTR7DRD2
SCHEMBL6747951 0.79 HTR1A (0.56) HTR2AHTR1AKCNH2HTR7DRD2
SCHEMBL6744592 0.78 HTR2A (0.53) HTR2AHTR1AKCNH2HTR7DRD2

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 17/4885KCNH2 188/4885

“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.