SCHEMBL29985644

SCHEMBL29985644

CC(C)(C)OC(=O)N1CCC(N)(C(F)(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RORC P51449 4/20 0.40
HDAC2 Q92769 2/20 0.39
CYP11B2 P19099 1/20 0.39
USP30 Q70CQ3 1/20 0.38
SCD5 Q86SK9 1/20 0.37
HDAC1 Q13547 1/20 0.37
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.37
TACR1 P25103 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
PDK2 Q15119 1/20 0.36

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
SCHEMBL27190515 1.00 USP2 (0.42) USP2SMN1; SMN2RORCHDAC2CYP11B2
SCHEMBL23717650 0.91 USP2 (0.42) USP2SMN1; SMN2RORCHDAC2CYP11B2
SCHEMBL3250470 0.90 USP2 (0.49) USP2SMN1; SMN2HDAC2HDAC1HPGD
SCHEMBL31716895 0.87 USP2 (0.43) USP2SMN1; SMN2RORCHPGDEPHX2
SCHEMBL21811041 0.81 USP2 (0.45) USP2SMN1; SMN2RORCHDAC2CYP11B2
SCHEMBL25952120 0.79 USP2 (0.44) USP2SMN1; SMN2RORCHDAC2CYP11B2
SCHEMBL4224125 0.79 USP2 (0.44) USP2SMN1; SMN2RORCHDAC2CYP11B2
SCHEMBL26112682 0.79 USP2 (0.41) USP2SMN1; SMN2RORCHDAC2CYP11B2
SCHEMBL358661 0.79 USP2 (0.46) USP2SMN1; SMN2HDAC2CYP11B2USP30
SCHEMBL16590451 0.79 USP2 (0.46) USP2SMN1; SMN2RORCHDAC2CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279221-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHROEDINGER INC (US) 2024-08-22 US disclosed
EP-4346815-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Schrödinger, Inc. (US) 2024-04-10 EP disclosed
CN-117715642-A Heterocyclic compounds and methods of use 薛定谔公司 2024-03-15 CN disclosed
WO-2022251497-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. (US) 2022-12-01 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 (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-20240279221-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE APC, RCC2, CDC37 USP2 2952/4885SMN1; SMN2 3902/4885RORC 2114/4885

“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.