SCHEMBL3176273

SCHEMBL3176273

c1ccc2c(c1)CC1NCCc3ccc(C4CC4)c-2c31

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.63
HTR2A P28223 1/20 0.55
HTR2B P41595 1/20 0.55
DRD3 P35462 1/20 0.54
DRD1 P21728 3/20 0.53
PTPRCAP Q14761 2/20 0.53
DRD2 P14416 4/20 0.52
HTR1A P08908 1/20 0.50
PARP1 P09874 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
SCHEMBL3174699 0.81 HTR2C (0.68) HTR2CHTR2AHTR2BDRD3DRD1
SCHEMBL6237859 0.81 HTR2C (0.70) HTR2CHTR2AHTR2BDRD3DRD1
SCHEMBL1345733 0.79 HTR1A (0.63) HTR2CHTR2AHTR2BDRD3DRD1
SCHEMBL3160390 0.77 HTR2C (0.65) HTR2CHTR2AHTR2BDRD3DRD1
SCHEMBL1345825 0.75 HTR2C (0.62) HTR2CHTR2AHTR2BDRD3DRD1
SCHEMBL3178138 0.74 HTR2C (0.58) HTR2CHTR2AHTR2BDRD3DRD1
Bromide SCHEMBL6905306 0.74 HTR2C (0.61) HTR2CHTR2AHTR2BDRD3DRD1
SCHEMBL14782159 0.72 HTR2C (0.58) HTR2CHTR2AHTR2BDRD3DRD1
Bromide SCHEMBL7111710 0.71 HTR2C (0.57) HTR2CHTR2AHTR2BDRD3DRD1
SCHEMBL22960779 0.70 DRD2 (0.70) HTR2CHTR2AHTR2BDRD3DRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648995-B2 R(—)-11-hydroxyaporphine derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2010-01-19 US disclosed
US-20060040900-A1 R(-)-11-hydroxyaporphine derivatives and uses thereof MCLEAN HOSPITAL CORPORATION, THE 2006-02-23 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-20060040900-A1 R(-)-11-hydroxyaporphine derivatives and uses thereof SNCA, HTR5A, PARK7 HTR2C 10/4885HTR2A 7/4885HTR2B 18/4885

“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.