SCHEMBL14770953

SCHEMBL14770953

CC(C)[C@H](C)CCC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.45
CES1 P23141 7/20 0.43
CES2 O00748 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.34
PLA2G4B P0C869 1/20 0.34
MAPT P10636 1/20 0.34
PLA2G4A P47712 1/20 0.34
BLM P54132 1/20 0.34
MGLL Q99685 1/20 0.34
PLA2G4C Q9UP65 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL19501024 1.00 FAAH (0.45) FAAHCES1CES2MEN1CYP1A2
SCHEMBL16139998 0.81 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL13556520 0.79 CA1 (0.31) CYP1A2
SCHEMBL23776844 0.77 GABRP (0.54) FAAHCES1CES2MEN1CYP1A2
SCHEMBL19501022 0.76 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL19501033 0.76 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL14770949 0.73 FAAH (0.56) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11533523 0.71 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL16786175 0.70 ALDH1A1 (0.47) CYP1A2ALDH1A1
SCHEMBL237372 0.70 ALDH1A1 (0.47) CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20210147470-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2021-05-20 US disclosed
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2017-10-26 US disclosed
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2017-10-26 US disclosed
WO-2013036835-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2013-03-14 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 (3 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-20210147470-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R FAAH 1396/4885CES1 1084/4885CES2 762/4885
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 FAAH 854/4885CES1 915/4885CES2 348/4885
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 FAAH 854/4885CES1 915/4885CES2 348/4885

“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.