SCHEMBL6402256

SCHEMBL6402256

CC1(C)C(=O)C(C)(C)c2cc(C(O)CCN3CCN(c4noc5ccccc45)CC3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.50
HTR1A P08908 9/20 0.50
DRD2 P14416 9/20 0.50
HTR7 P34969 1/20 0.49
DRD4 P21917 1/20 0.44
SIGMAR1 Q99720 1/20 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
SCHEMBL6400812 0.91 HTR2A (0.47) HTR2AHTR1ADRD2HTR7DRD4
SCHEMBL6397678 0.89 HTR2A (0.48) HTR2AHTR1ADRD2HTR7
SCHEMBL5738711 0.85 MEN1 (0.39) HTR1A
SCHEMBL6401061 0.84 HTR2A (0.46) HTR2AHTR1ADRD2HTR7
SCHEMBL5738767 0.82 HTR2A (0.51) HTR2AHTR1ADRD2
SCHEMBL6400851 0.82
SCHEMBL6398289 0.81 DRD2 (0.52) HTR2AHTR1ADRD2HTR7DRD4
SCHEMBL6399207 0.81 HTR2A (0.50) HTR2AHTR1ADRD2HTR7DRD4
SCHEMBL6401523 0.81 HTR2A (0.43) HTR2AHTR1ADRD2HTR7
SCHEMBL6398303 0.80 HTR2A (0.49) HTR2AHTR1ADRD2HTR7DRD4

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 195/4885HTR1A 61/4885DRD2 9/4885

“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.