SCHEMBL20106543

SCHEMBL20106543

CC(C)(C)OC(=O)NC1CCCC(c2ccccc2F)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
BTK Q06187 1/20 0.52
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
TRPV1 Q8NER1 13/20 0.44
EPHX2 P34913 1/20 0.44
DRD2 P14416 2/20 0.42

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
SCHEMBL21232389 1.00 KMT2A (0.53) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL21311673 0.86 KMT2A (0.51) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL20106544 0.86 KMT2A (0.53) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL21232390 0.85 KMT2A (0.52) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL20106566 0.85 KMT2A (0.52) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL21232478 0.83 BTK (0.60) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL21232399 0.83 BTK (0.60) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL21221592 0.81 TRPV1 (0.47) KMT2ATRPV1
SCHEMBL21232504 0.80 BTK (0.53) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL21232484 0.80 BTK (0.53) KMT2AL3MBTL1BTKKDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759743-B2 Pd-catalyzed γ-C(sp3)-H arylation / heteroarylation of free amines THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 US disclosed
US-20190241508-A1 PD-CATALYZED GAMMA-C(SP3)-H ARYLATION / HETEROARYLATION OF FREE AMINES THE SCRIPPS RESEARCH INSTITUTE 2019-08-08 US disclosed
WO-2018080897-A1 PD-CATALYZED γ-C(SP3)-H ARYLATION / HETEROARYLATION OF FREE AMINES THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-03 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 (2 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-10759743-B2 Pd-catalyzed γ-C(sp3)-H arylation / heteroarylation of free amines DBH, GRIA3, H1-3 KMT2A 940/4885L3MBTL1 3167/4885BTK 4852/4885
US-20190241508-A1 PD-CATALYZED GAMMA-C(SP3)-H ARYLATION / HETEROARYLATION OF FREE AMINES DBH, SNCA, H1-3 KMT2A 975/4885L3MBTL1 3008/4885BTK 4855/4885

“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.