SCHEMBL6399037

SCHEMBL6399037

CC(=O)NC1Cc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C1(C)C

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.68
KCNH2 Q12809 16/20 0.68
HTR2A P28223 16/20 0.68
DRD2 P14416 13/20 0.68
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
SCHEMBL6398868 0.94 HTR1A (0.67) HTR1AKCNH2HTR2ADRD2DRD3
SCHEMBL6402177 0.87 HTR1A (0.57) HTR1AKCNH2HTR2ADRD2
SCHEMBL6400115 0.87 HTR1A (0.68) HTR1AKCNH2HTR2ADRD2DRD3
SCHEMBL6397693 0.86 HTR1A (0.56) HTR1AKCNH2HTR2ADRD2
SCHEMBL5738315 0.85 HTR1A (0.72) HTR1AKCNH2HTR2ADRD2DRD3
SCHEMBL5400725 0.85 HTR1A (0.72) HTR1AKCNH2HTR2ADRD2DRD3
SCHEMBL5400723 0.85 HTR1A (0.72) HTR1AKCNH2HTR2ADRD2DRD3
SCHEMBL6399742 0.83 HTR1A (0.57) HTR1AKCNH2HTR2ADRD2
SCHEMBL6400159 0.82 HTR1A (0.75) HTR1AKCNH2HTR2ADRD2DRD3
SCHEMBL6400755 0.82 HTR1A (0.55) HTR1AKCNH2HTR2ADRD2

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 3 patents. 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 claimed
US-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia GRAHAM JAMES M 2005-12-22 US disclosed
US-20050037919-A1 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2005-02-17 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 (2 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 61/4885KCNH2 114/4885HTR2A 195/4885
US-20050037919-A1 Metallocenes and catalyst compositions derived therefrom HMOX1, RTF1, OPRM1 HTR1A 698/4885KCNH2 4123/4885HTR2A 2436/4885

“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.