SCHEMBL244299

SCHEMBL244299

CCOC(=O)CCc1ccc(OCCCCOCc2ccccc2)nc1NC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.41
GHSR Q92847 1/20 0.39
POLB P06746 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALOX5 P09917 1/20 0.37
CFTR P13569 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
TOP2A P11388 1/20 0.36
JAK2 O60674 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5372256 0.84 L3MBTL1 (0.38) POLBJAK2NPC1RAB9A
SCHEMBL247864 0.80 AKR1B10 (0.36) ALOX5CFTRJAK2NPC1RAB9A
SCHEMBL5350756 0.80 MMP3 (0.35) ALOX5JAK2
SCHEMBL247076 0.79 L3MBTL1 (0.39) POLBJAK2NPC1RAB9A
SCHEMBL14984331 0.79 CYP4F2 (0.43) LTA4HPOLBCYP4F2CYP4A11ALOX5
SCHEMBL5374444 0.79 L3MBTL1 (0.46) JAK2
SCHEMBL5218282 0.76 FGFR1 (0.36) JAK2NPC1RAB9A
SCHEMBL5218290 0.76 FGFR1 (0.36) JAK2NPC1RAB9A
SCHEMBL14984325 0.76 SMN1; SMN2 (0.45) CYP4F2CYP4A11TOP2ANPC1RAB9A
SCHEMBL9212182 0.73 ALOX5 (0.52) LTA4HPOLBCYP4F2CYP4A11ALOX5

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 LTA4H 3391/4885GHSR 139/4885POLB 4404/4885

“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.