SCHEMBL20434830

SCHEMBL20434830

CC1(F)CCCN(C(=O)C(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SPR P35270 1/20 0.35
EPHX2 P34913 2/20 0.33
HSD11B1 P28845 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CYP3A4 P08684 2/20 0.31
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HTT P42858 1/20 0.30
GRM5 P41594 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL15490628 0.89 SPR (0.42) RIPK1L3MBTL1SPREPHX2HSD11B1
SCHEMBL17034777 0.84 RIPK1 (0.38) RIPK1L3MBTL1EPHX2HSD11B1TP53
SCHEMBL16781413 0.83 MEN1 (0.41) RIPK1L3MBTL1EPHX2HSD11B1TP53
SCHEMBL15490630 0.81 RORC (0.33) RIPK1SPREPHX2HDAC6MEN1
SCHEMBL22991226 0.80 RIPK1 (0.38) RIPK1L3MBTL1EPHX2HSD11B1TP53
SCHEMBL15128218 0.79 CYP3A4 (0.42) SPREPHX2MEN1KMT2ACYP3A4
SCHEMBL30143045 0.79 SPR (0.37) L3MBTL1SPREPHX2MEN1KMT2A
SCHEMBL24036283 0.78 HPGD (0.44) EPHX2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28882527 0.78 HPGD (0.44) EPHX2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18309348 0.78 LMNA (0.41) SPREPHX2CYP3A4ALDH1A1SMN1; SMN2

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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 US disclosed
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2018-08-02 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 (2 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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP RIPK1 3101/4885L3MBTL1 2738/4885SPR 2097/4885
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MKI67, MCL1 RIPK1 2632/4885L3MBTL1 1331/4885SPR 1084/4885

“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.