SCHEMBL22220554

SCHEMBL22220554

CC(C)(C)OC(=O)N1CCC(F)C1CO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
HSD17B10 Q99714 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CTSK P43235 1/20 0.36
RECQL P46063 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
SCHEMBL22220563 1.00 NR1H2 (0.42) NR1H2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL31177055 1.00 NR1H2 (0.42) NR1H2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL29820001 1.00 NR1H2 (0.42) NR1H2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL1584572 0.83 NR1H2 (0.44) NR1H2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL114868 0.83 NR1H2 (0.44) NR1H2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL27156438 0.83 NR1H2 (0.44) NR1H2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL114606 0.83 NR1H2 (0.44) NR1H2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL31603547 0.83 NR1H2 (0.47) NR1H2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL31603272 0.83 NR1H2 (0.47) NR1H2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL14428300 0.82 NR1H2 (0.43) NR1H2HSD17B10CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12194023-B2 Compositions and methods for modular control of bioorthogonal ligation THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2025-01-14 US disclosed
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 US disclosed
EP-4211118-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR Cerevance, Inc. (US) 2023-07-19 EP disclosed
US-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-07-14 US disclosed
WO-2022053823-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR Cerevance, Inc. (US) 2022-03-17 WO disclosed
WO-2020113077-A9 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-13 WO disclosed
WO-2020146613-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-07-16 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-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION CBR3, C1R, CBR1 NR1H2 1844/4885HSD17B10 2415/4885CHRM2 237/4885
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 NR1H2 248/4885HSD17B10 2585/4885CHRM2 2/4885
US-12194023-B2 Compositions and methods for modular control of bioorthogonal ligation CBR3, C1R, CBR1 NR1H2 1844/4885HSD17B10 2415/4885CHRM2 237/4885

“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.