SCHEMBL6773375

SCHEMBL6773375

CC(C)(C)OC(=O)C1(c2ccc(N)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
MAPT P10636 1/20 0.33
BACE2 Q9Y5Z0 4/20 0.32
BACE1 P56817 3/20 0.32
OPRL1 P41146 1/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC1 Q13547 1/20 0.31
TP53 P04637 1/20 0.31
PDK2 Q15119 1/20 0.31
KDM1A O60341 1/20 0.30
CRBN Q96SW2 1/20 0.30
AKR1B10 O60218 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
NR1H3 Q13133 1/20 0.30
ALOX15 P16050 1/20 0.30
HDAC4 P56524 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
SCHEMBL31572381 0.81 OPRM1 (0.43) MAPTALOX15
SCHEMBL1769552 0.81 OPRM1 (0.43) MAPTALOX15
SCHEMBL6607686 0.79 MAPT (0.41) MAPTPDK2
SCHEMBL31572390 0.79 HDAC4 (0.39) MAPTBACE2BACE1HDAC4
SCHEMBL6608194 0.73 CALML3 (0.43)
SCHEMBL31045690 0.73 USP2 (0.33) AKR1C3AKR1C2HDAC4
SCHEMBL3698329 0.72 NR1H2 (0.36) NR1H2HDAC2HDAC1
SCHEMBL6679438 0.72 CALML3 (0.51)
SCHEMBL6679441 0.72 CALML3 (0.51)
SCHEMBL28931866 0.71 PIK3R1 (0.34) HDAC2HDAC1

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-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 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-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 NR1H2 135/4885MAPT 3655/4885BACE2 2576/4885

“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.