SCHEMBL253634

SCHEMBL253634

CC(C)(C)OC(=O)N1CCCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
DRD2 P14416 9/20 0.53
DRD3 P35462 4/20 0.50
CKS1B P61024 1/20 0.50
SKP1 P63208 1/20 0.50
SKP2 Q13309 1/20 0.50
STS P08842 1/20 0.48
MAPK8 P45983 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
HTR2A P28223 1/20 0.46
POLB P06746 1/20 0.46
CYBB P04839 1/20 0.46
NOX5 Q96PH1 1/20 0.46
NOX4 Q9NPH5 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL246696 0.95 DRD2 (0.56) MEN1KMT2ADRD2DRD3STS
SCHEMBL5235579 0.91 MEN1 (0.59) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL30208139 0.85 MEN1 (0.56) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL14852499 0.85 MEN1 (0.56) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL20516442 0.85 MEN1 (0.56) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL31316587 0.84 ALDH1A1 (0.54) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL25003630 0.83 SMARCA2 (0.54) MEN1KMT2ADRD2CKS1BSKP1
SCHEMBL21996003 0.83 LMNA (0.56) MEN1KMT2ASTSMAPK8POLB
SCHEMBL21995750 0.83 ALDH1A1 (0.54) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL30885786 0.83 ALDH1A1 (0.54) MEN1KMT2ACKS1BSKP1SKP2

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 8 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-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
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 MEN1 3642/4885KMT2A 2942/4885DRD2 1/4885

“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.