SCHEMBL21290598

SCHEMBL21290598

CC(=O)O[C@H]1CC[C@@H](C(=O)Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.38
CHRM1 P11229 5/20 0.38
CHRM4 P08173 4/20 0.38
CHRM3 P20309 4/20 0.38
CHRM5 P08912 2/20 0.38
TSHR P16473 3/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
ALOX15 P16050 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
SCHEMBL11163060 1.00 CHRM2 (0.38) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL11163056 1.00 CHRM2 (0.38) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL177205 0.83
SCHEMBL12476221 0.83 CHRM2 (0.42) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL13804069 0.82 CHRM2 (0.36) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL21291237 0.82 SERPINE1 (0.31)
SCHEMBL19840159 0.82 CHRM2 (0.36) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL28780475 0.81
Ammonia Solution, Strong SCHEMBL28770241 0.81
Hydrochloric Acid SCHEMBL28064630 0.81

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-20220402947-A1 Trialkyne Linking Agents and Methods of Use SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2022-12-22 US disclosed
WO-2019161213-A1 TRIALKYNE LINKING AGENTS AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2019-08-22 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-20220402947-A1 Trialkyne Linking Agents and Methods of Use DCLRE1A, DTYMK, RTCB CHRM2 4817/4885CHRM1 4786/4885CHRM4 4657/4885

“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.