SCHEMBL14984331

SCHEMBL14984331

CCOC(=O)CCc1ccc(Cc2ccccc2)nc1NC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
POLB P06746 1/20 0.43
LTA4H P09960 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CFTR P13569 1/20 0.42
TOP2A P11388 1/20 0.41
ALOX5 P09917 1/20 0.40
PPID Q08752 1/20 0.39
MAPT P10636 1/20 0.38
MMP8 P22894 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL14984325 0.82 SMN1; SMN2 (0.45) CYP4F2CYP4A11SMN1; SMN2TOP2AMAPT
SCHEMBL244299 0.79 LTA4H (0.41) CYP4F2CYP4A11POLBLTA4HCFTR
SCHEMBL14984330 0.77 CFTR (0.41) SMN1; SMN2CFTRMAPTMMP8TRPM8
SCHEMBL2773061 0.69 CYP4F2 (0.68) CYP4F2CYP4A11LTA4HALOX5
Ethyl 3-Phenylpropanoate SCHEMBL304816 0.69 TDP1 (0.75) CYP4F2CYP4A11SMN1; SMN2ALOX5MAPT
SCHEMBL25371019 0.68 LTA4H (0.44) LTA4HSMN1; SMN2TOP2AALOX5MAPT
Ethyl 3-Phenylpropanoate SCHEMBL7440447 0.67 TDP1 (0.72) CYP4F2CYP4A11SMN1; SMN2ALOX5MAPT
SCHEMBL69660 0.67 CYP4F2 (0.86) CYP4F2CYP4A11SMN1; SMN2ALOX5MAPT
SCHEMBL260297 0.66 ALOX5 (0.76) CYP4F2CYP4A11POLBSMN1; SMN2ALOX5
SCHEMBL3393059 0.66 POLB (0.71) POLBALOX5LMNA

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 2 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

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 CYP4F2 2028/4885CYP4A11 3028/4885POLB 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.