SCHEMBL253400

SCHEMBL253400

Clc1cccc(C2CCN(CCCCNc3ccc4cn[nH]c4c3)CC2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.51
HTR1A P08908 4/20 0.44
HTR2A P28223 4/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
ROCK2 O75116 4/20 0.42
ROCK1 Q13464 4/20 0.42
CCR2 P41597 2/20 0.42
HTR7 P34969 3/20 0.41
HTR6 P50406 3/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL253470 0.97 DRD2 (0.51) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL253848 0.84 DRD2 (0.72) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL254909 0.84 DRD2 (0.72) DRD2HTR1AHTR2ATRPV1HTR7
SCHEMBL252588 0.83 DRD2 (0.72) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL251156 0.81 DRD2 (0.72) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL252200 0.81 DRD2 (0.71) DRD2HTR1AHTR2ATRPV1HTR7
SCHEMBL252277 0.81 DRD2 (0.67) DRD2HTR1AHTR2ATRPV1HTR7
SCHEMBL3396795 0.79 DRD2 (0.70) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL252996 0.78 DRD2 (0.67) DRD2HTR1AHTR2ATRPV1HTR7
SCHEMBL248054 0.76 DRD2 (0.71) DRD2HTR1AHTR2AHTR2CHTR2B

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 9 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
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 WO 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-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
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 1/4885HTR1A 95/4885HTR2A 56/4885

“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.