SCHEMBL247864

SCHEMBL247864

CCOC(=O)C=Cc1ccc(OCCCCOCc2ccccc2)nc1NC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 2/20 0.36
AKR1B1 P15121 2/20 0.36
CFTR P13569 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
FGFR1 P11362 2/20 0.35
KDR P35968 2/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
JAK2 O60674 1/20 0.34
MDM2 Q00987 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RY12 Q9H244 1/20 0.34
CSNK1D P48730 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34

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
SCHEMBL5218290 0.85 FGFR1 (0.36) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5218282 0.85 FGFR1 (0.36) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL247076 0.85 L3MBTL1 (0.39) MAPTNPC1RAB9ALMNAFGFR1
SCHEMBL244299 0.80 LTA4H (0.41) CFTRNPC1RAB9AJAK2ALOX5
SCHEMBL14984330 0.80 CFTR (0.41) AKR1B10AKR1B1CFTRMAPTNPC1
SCHEMBL5372256 0.77 L3MBTL1 (0.38) NPC1RAB9ALMNAFGFR1KDR
SCHEMBL14984326 0.77 ESR1 (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL335176 0.75 APP (0.41) AKR1B10AKR1B1MEN1KMT2ALMNA
SCHEMBL335174 0.75 APP (0.41) AKR1B10AKR1B1MEN1KMT2ALMNA
SCHEMBL27906673 0.74 MAPT (0.42) MAPTNPC1RAB9ALMNAMDM2

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 AKR1B10 2039/4885AKR1B1 1867/4885CFTR 1032/4885

“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.