SCHEMBL6399114

SCHEMBL6399114

CC1(C)C(=N)C(C)(C)c2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.64
HTR7 P34969 1/20 0.64
HTR2A P28223 12/20 0.61
DRD2 P14416 11/20 0.61
KCNH2 Q12809 10/20 0.61

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
SCHEMBL5738492 0.90 HTR1A (0.64) HTR1AHTR7HTR2ADRD2KCNH2
SCHEMBL6400727 0.85 HTR1A (0.65) HTR1AHTR7HTR2ADRD2KCNH2
SCHEMBL6401515 0.85 HTR1A (0.56) HTR1AHTR7HTR2ADRD2
SCHEMBL6399118 0.84 HTR1A (0.64) HTR1AHTR7HTR2ADRD2KCNH2
SCHEMBL6400489 0.83 HTR1A (0.63) HTR1AHTR7HTR2ADRD2KCNH2
SCHEMBL5767939 0.83 HTR1A (0.62) HTR1AHTR7HTR2ADRD2KCNH2
SCHEMBL6399699 0.82 HTR1A (0.61) HTR1AHTR7HTR2ADRD2KCNH2
SCHEMBL6399709 0.82 HTR1A (0.61) HTR1AHTR7HTR2ADRD2KCNH2
Hydrochloric Acid SCHEMBL4881899 0.81 HTR1A (0.60) HTR1AHTR7HTR2ADRD2KCNH2
Hydrochloric Acid SCHEMBL27279327 0.81 HTR1A (0.60) HTR1AHTR7HTR2ADRD2KCNH2

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 61/4885HTR7 229/4885HTR2A 195/4885

“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.