SCHEMBL3400429

SCHEMBL3400429

O=c1[nH]c2ccc(OCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 1.00
DRD1 P21728 2/20 0.72
HTR1A P08908 1/20 0.63
DRD4 P21917 1/20 0.63
DRD5 P21918 1/20 0.63
HTR2A P28223 1/20 0.63
HTR2C P28335 1/20 0.63
DRD3 P35462 1/20 0.63
HTR2B P41595 1/20 0.63

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
SCHEMBL252960 0.97 DRD2 (0.94) DRD2DRD1HTR1ADRD4DRD5
SCHEMBL3410913 0.96 DRD2 (1.00) DRD2DRD1HTR1ADRD4DRD5
SCHEMBL251911 0.93 DRD2 (1.00) DRD2DRD1HTR1ADRD4DRD5
SCHEMBL253673 0.88 DRD2 (1.00) DRD2DRD1HTR1ADRD4DRD5
SCHEMBL251904 0.85 DRD2 (1.00) DRD2DRD1HTR1ADRD4DRD5
SCHEMBL3402211 0.84 DRD2 (0.73) DRD2DRD1HTR1ADRD4DRD5
SCHEMBL3655601 0.84 DRD2 (0.82) DRD2DRD1HTR1ADRD4DRD5
SCHEMBL14587005 0.83 DRD2 (0.94) DRD2DRD1HTR1ADRD4DRD5
Hydrochloric Acid SCHEMBL3660497 0.83 DRD2 (0.81) DRD2DRD1HTR1ADRD4DRD5
SCHEMBL253399 0.83 DRD2 (0.71) DRD2DRD1HTR1ADRD4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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
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 1/4885DRD1 21/4885HTR1A 95/4885

“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.