SCHEMBL3395428

SCHEMBL3395428

Clc1cccc(N2CCCN(Cl)CC2)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.62
DRD3 P35462 14/20 0.62
ADRB1 P08588 1/20 0.57
DRD4 P21917 6/20 0.54
DRD5 P21918 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DHODH Q02127 1/20 0.46
NOTUM Q6P988 1/20 0.44
HTR1A P08908 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
SCHEMBL3398184 0.93 DRD2 (0.70) DRD2DRD3ADRB1DRD4DRD5
SCHEMBL8452211 0.85 DRD2 (0.69) DRD2DRD3ADRB1DRD4DRD5
SCHEMBL2131518 0.83 DRD2 (0.67) DRD2DRD3ADRB1DRD4DRD5
SCHEMBL30751119 0.83 DRD2 (0.67) DRD2DRD3ADRB1DRD4DRD5
SCHEMBL3399574 0.81 DRD2 (0.87) DRD2DRD3ADRB1DRD4DRD5
SCHEMBL8318459 0.77 DRD2 (0.68) DRD2DRD3ADRB1DRD4DRD5
SCHEMBL13457329 0.77 DRD2 (0.68) DRD2DRD3ADRB1DRD4DRD5
SCHEMBL18950672 0.77 DRD2 (0.68) DRD2DRD3ADRB1DRD4DRD5
SCHEMBL3399254 0.77 DRD2 (1.00) DRD2DRD3ADRB1DRD4DRD5
SCHEMBL22302770 0.75 DRD2 (0.89) DRD2DRD3DRD4DRD5KDM4E

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 DRD2 1/4885DRD3 12/4885ADRB1 52/4885

“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.