SCHEMBL6400823

SCHEMBL6400823

CC1(C)c2ccc(CCCN3CCN(c4noc5ccccc45)CC3)cc2C(C)(C)C1O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.48
DRD4 P21917 3/20 0.48
SIGMAR1 Q99720 2/20 0.48
HTR2A P28223 8/20 0.47
HTR7 P34969 7/20 0.47
HTR6 P50406 3/20 0.46
HTR1A P08908 4/20 0.46

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
SCHEMBL6405448 0.95 HTR7 (0.51) DRD2DRD4HTR2AHTR7HTR6
SCHEMBL6404206 0.94 HTR2A (0.48) DRD2DRD4SIGMAR1HTR2AHTR7
SCHEMBL6404377 0.89 HTR2A (0.49) DRD2DRD4HTR2AHTR7HTR6
SCHEMBL6405450 0.86 HTR7 (0.48) DRD2DRD4SIGMAR1HTR2AHTR7
SCHEMBL6406964 0.85 HTR2A (0.48) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL6399207 0.84 HTR2A (0.50) DRD2DRD4SIGMAR1HTR2AHTR7
SCHEMBL5738682 0.84 SIGMAR1 (0.38) DRD2SIGMAR1HTR2AHTR7HTR1A
SCHEMBL6400717 0.81 HTR2A (0.48) DRD2DRD4SIGMAR1HTR2AHTR7
SCHEMBL6401030 0.81 HTR7 (0.52) DRD2DRD4HTR2AHTR7HTR6
SCHEMBL6399597 0.81 HTR1A (0.56) DRD2HTR2AHTR7HTR1A

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 DRD2 9/4885DRD4 48/4885SIGMAR1 116/4885

“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.