SCHEMBL20915947

SCHEMBL20915947

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(CCCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
OGA O60502 2/20 0.42
AGTR2 P50052 4/20 0.41
KCNH2 Q12809 3/20 0.40
GAA P10253 1/20 0.37

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
SCHEMBL20915930 1.00 SIGMAR1 (0.43) SIGMAR1OGAAGTR2KCNH2GAA
SCHEMBL1439745 0.88 CHRM2 (0.43) AGTR2
SCHEMBL28593949 0.88 CHRM2 (0.43) AGTR2
SCHEMBL19465331 0.88 CHRM2 (0.43) AGTR2
SCHEMBL29304443 0.81 NPC1 (0.38) AGTR2
SCHEMBL29940175 0.78 CHRM2 (0.41)
SCHEMBL1444237 0.78 CHRM2 (0.41)
SCHEMBL19408441 0.78 CHRM2 (0.41)
SCHEMBL18387515 0.78 CHRM2 (0.41)
SCHEMBL8833545 0.78 CHRM2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD. (CN) 2019-04-25 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-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE LPAR1, LPAR3, LPAR2 SIGMAR1 233/4885OGA 4050/4885AGTR2 278/4885

“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.