SCHEMBL5199856

SCHEMBL5199856

CC(C)C(=O)c1c(F)ccc(Br)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
KDM4E B2RXH2 1/20 0.34
DBH P09172 1/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
CES2 O00748 4/20 0.33
CES1 P23141 4/20 0.33
PTGES O14684 2/20 0.33
ALOX5 P09917 2/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL61847 0.76 CES2 (0.47) FFAR1CES2CES1MEN1KMT2A
SCHEMBL31235907 0.75 CA12 (0.46) KDM4EGAAMEN1KMT2A
SCHEMBL34460357 0.75 CA12 (0.46) KDM4EGAAMEN1KMT2A
SCHEMBL14519935 0.75 FFAR1 (0.42) FFAR1KDM4EDBHGAARECQL
SCHEMBL10137817 0.72 CES2 (0.59) FFAR1CES2CES1MEN1KMT2A
SCHEMBL15867204 0.71 CA12 (0.35) GAARECQLMEN1KMT2A
SCHEMBL5199487 0.70 CA12 (0.48) FFAR1KDM4EDBHGAARECQL
SCHEMBL17275631 0.69 GAA (0.52) KDM4EDBHGAARECQLCHRNA1
SCHEMBL26732689 0.69 KDM4E (0.35) FFAR1KDM4EKCNH2
SCHEMBL24254622 0.69 FFAR1 (0.43) FFAR1KDM4EDBHGAARECQL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 EP disclosed
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 EP 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-20070197594-A1 Cyclic amine derivative or salt thereof GRIN1, PARK7, GRIN3A FFAR1 3299/4885KDM4E 3317/4885DBH 172/4885

“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.