SCHEMBL246285

SCHEMBL246285

Cc1ccc(OCCCCBr)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 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
SCHEMBL28674209 0.99 MAPT (0.53) MAPTTSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL14419426 0.95 MAPT (0.52) MAPTTSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL28610809 0.86 MAPT (0.51) MAPTTSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL4257371 0.86 MAPT (0.57) MAPTTSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1494443 0.86 ALDH1A1 (0.51) MAPTTSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5624130 0.84 MAPT (0.67) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4228943 0.83 MAPT (0.66) MAPTTSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL22366568 0.82 MAPT (0.54) MAPTTSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL16665240 0.82 MAPT (0.50) MAPTTSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5465073 0.82 MAPT (0.50) MAPTTSHRSMN1; SMN2ALDH1A1CYP3A4

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 MAPT 1375/4885TSHR 72/4885SMN1; SMN2 966/4885

“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.