SCHEMBL10074634

SCHEMBL10074634

CCCN(CCN1CCN(C)CC1)C1CCc2ccc(O)cc2C1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.79
DRD3 P35462 13/20 0.79
DRD4 P21917 2/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
HTR1A P08908 1/20 0.77
ADRB2 P07550 1/20 0.77
CYP2D6 P10635 1/20 0.77
CASP1 P29466 1/20 0.77
LMNA P02545 2/20 0.76
MAPT P10636 1/20 0.76

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
SCHEMBL2699679 0.90 DRD2 (0.72) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL10075562 0.89 DRD2 (1.00) DRD2DRD3
SCHEMBL30350412 0.89 DRD2 (1.00) DRD2DRD3
SCHEMBL3030252 0.89 DRD2 (1.00) DRD2DRD3
SCHEMBL7568447 0.88 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL29448457 0.88 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL623950 0.88 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL8930123 0.88 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL29460204 0.88 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
Bromide SCHEMBL4204027 0.87 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A

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-9034877-B2 Bifunctional/polyfunctional dopamine D2/D3 agonist as neuroprotective agents for treatment of neurodegenerative diseases WAYNE STATE UNIVERSITY (US) 2015-05-19 US disclosed
US-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2012-05-03 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-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES DRD3, DRD2, SLC6A3 DRD2 2/4885DRD3 1/4885DRD4 7/4885

“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.