SCHEMBL3396137

SCHEMBL3396137

CC(C)Oc1ccccc1N1CCCN(Cl)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 7/20 0.54
ADRA1B P35368 7/20 0.54
ADRA1D P25100 6/20 0.54
HTR1A P08908 1/20 0.47

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
SCHEMBL7301761 0.86 ADRA1A (0.60) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL3955000 0.84 ADRA1D (0.58) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL3954997 0.84 ADRA1D (0.58) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL3400411 0.84 DRD2 (0.59) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL3401668 0.83 DRD2 (0.63) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL14621895 0.80 DRD2 (0.67) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL3402455 0.79 DRD2 (0.62) ADRA1AADRA1BADRA1D
SCHEMBL14984402 0.77 HTR6 (0.60) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL8758360 0.76 ADRA1D (0.64) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL3399759 0.76 DRD2 (0.71) ADRA1AADRA1BADRA1DHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 WO 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-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 ADRA1A 113/4885ADRA1B 108/4885ADRA1D 65/4885

“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.