SCHEMBL6400727

SCHEMBL6400727

CC1(C)c2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C(C)(C)C1N

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.65
HTR2A P28223 13/20 0.65
KCNH2 Q12809 12/20 0.65
DRD2 P14416 10/20 0.65
HTR7 P34969 1/20 0.63
DRD3 P35462 1/20 0.56

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
SCHEMBL6399699 0.91 HTR1A (0.61) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6400489 0.90 HTR1A (0.63) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6399709 0.89 HTR1A (0.61) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6399118 0.85 HTR1A (0.64) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6399114 0.85 HTR1A (0.64) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6397588 0.85 HTR1A (0.55) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6399597 0.85 HTR1A (0.56) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6400115 0.85 HTR1A (0.68) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6402195 0.84 HTR1A (0.58) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6397593 0.84 HTR1A (0.56) HTR1AHTR2AKCNH2DRD2HTR7

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-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia GRAHAM JAMES M 2005-12-22 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-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia CHRM1, CHRM2, CHRM5 HTR1A 61/4885HTR2A 195/4885KCNH2 114/4885

“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.