SCHEMBL5545683

SCHEMBL5545683

CCCN1CCC2CCCCC2C1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.45
HTR1A P08908 3/20 0.45
DRD3 P35462 2/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 1/20 0.43
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL21351069 0.98 HTR7 (0.44) HTR7HTR1ADRD3HRH1HTR2B
SCHEMBL24818999 0.98 HTR7 (0.44) HTR7HTR1ADRD3HRH1HTR2B
SCHEMBL27283842 0.91 GNAI3 (0.46) DRD3GNAI3GNAO1GNAI1DRD2
SCHEMBL27281461 0.91 GNAI3 (0.46) DRD3GNAI3GNAO1GNAI1DRD2
SCHEMBL27281459 0.91 GNAI3 (0.46) DRD3GNAI3GNAO1GNAI1DRD2
SCHEMBL12513465 0.89 GNAI3 (0.52) GNAI3GNAO1GNAI1DRD2
SCHEMBL7738925 0.87 GNAI3 (0.50) GNAI3GNAO1GNAI1DRD2
SCHEMBL18526641 0.87 GBA1 (0.39) DRD3HRH3DRD2DRD1DRD4
SCHEMBL22318387 0.85 SIGMAR1 (0.43) DRD3HRH3GNAI3GNAO1GNAI1
SCHEMBL14877527 0.85 GNAI3 (0.64) HTR7HTR1ADRD3HRH1HTR2B

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-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 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-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 HTR7 1128/4885HTR1A 413/4885DRD3 467/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 HTR7 1128/4885HTR1A 413/4885DRD3 467/4885

“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.