SCHEMBL22382254

SCHEMBL22382254

COC(=O)c1ccc([C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.52
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM1A O60341 2/20 0.44
▸ MAOB P27338 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM4D Q6B0I6 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 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
SCHEMBL21232595 1.00 BTK (0.52) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21221573 1.00 BTK (0.52) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21232571 0.98 KMT2A (0.49) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21232441 0.98 KMT2A (0.49) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21232570 0.96 ALDH1A1 (0.48) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21221567 0.96 ALDH1A1 (0.48) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21232465 0.93 KDM1A (0.48) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21221554 0.93 KDM1A (0.48) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21232565 0.89 BTK (0.53) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21232626 0.89 BTK (0.53) BTKKMT2AL3MBTL1KDM1AMAOB

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-10759743-B2 Pd-catalyzed γ-C(sp3)-H arylation / heteroarylation of free amines THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 — — 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-10759743-B2 Pd-catalyzed γ-C(sp3)-H arylation / heteroarylation of free amines DBH, GRIA3, H1-3 BTK 4852/4885KMT2A 940/4885L3MBTL1 3167/4885

“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.

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