SCHEMBL6401385

SCHEMBL6401385

CC1(C)C(=NO)C(C)(C)c2cc(CCN3CCN(c4noc5ccccc45)CC3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.46
DRD2 P14416 8/20 0.46
HTR1A P08908 4/20 0.46
HTR7 P34969 1/20 0.44
DRD4 P21917 2/20 0.44
SIGMAR1 Q99720 2/20 0.44

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
SCHEMBL6401381 1.00 HTR2A (0.46) HTR2ADRD2HTR1AHTR7DRD4
SCHEMBL5738767 0.88 HTR2A (0.51) HTR2ADRD2HTR1A
SCHEMBL6400109 0.88 HTR2A (0.47) HTR2ADRD2HTR1AHTR7
SCHEMBL6398303 0.85 HTR2A (0.49) HTR2ADRD2HTR1AHTR7DRD4
SCHEMBL6404206 0.83 HTR2A (0.48) HTR2ADRD2HTR1AHTR7DRD4
SCHEMBL6399207 0.82 HTR2A (0.50) HTR2ADRD2HTR1AHTR7DRD4
SCHEMBL6400113 0.82 HTR2A (0.47) HTR2ADRD2HTR1AHTR7
SCHEMBL6406964 0.81 HTR2A (0.48) HTR2ADRD2HTR1AHTR7
SCHEMBL6401030 0.80 HTR7 (0.52) HTR2ADRD2HTR7DRD4
SCHEMBL6404377 0.79 HTR2A (0.49) HTR2ADRD2HTR1AHTR7DRD4

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 HTR2A 195/4885DRD2 9/4885HTR1A 61/4885

“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.