SCHEMBL19919338

SCHEMBL19919338

C[C@H]1C[C@@H](OC(=O)C2CCC2)C(C)(C)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RECQL P46063 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
SCHEMBL19919344 1.00 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3HTT
SCHEMBL19919340 0.93 CHRM2 (0.30) CHRM2CHRM4CHRM1CHRM3
SCHEMBL19919337 0.93 CHRM2 (0.30) CHRM2CHRM4CHRM1CHRM3
SCHEMBL20734952 0.77 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3HTT
SCHEMBL23569446 0.76 TSHR (0.36) CHRM2CHRM4CHRM1CHRM3
SCHEMBL19900392 0.72 MAPT (0.53) KMT2A
SCHEMBL19900347 0.72 MAPT (0.53) KMT2A
SCHEMBL25689303 0.72 MAPT (0.53) KMT2A
SCHEMBL25689297 0.72 MAPT (0.53) KMT2A
SCHEMBL19919364 0.71 PPARG (0.32)

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-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2023-06-08 US disclosed
US-11485701-B2 Insect repellent compounds and compositions, and methods thereof IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-11-01 US disclosed
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-02-14 US disclosed
WO-2018039376-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-03-01 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 (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-11485701-B2 Insect repellent compounds and compositions, and methods thereof C5, CYP51A1, DDT CHRM2 2297/4885CHRM4 2069/4885CHRM1 2836/4885
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT CHRM2 2297/4885CHRM4 2069/4885CHRM1 2836/4885
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT CHRM2 2297/4885CHRM4 2069/4885CHRM1 2836/4885

“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.