SCHEMBL22965359

SCHEMBL22965359

CC(C)(C)c1ccnc(O[C@H]2C[C@H](N)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
HCRTR1 O43613 7/20 0.36
HCRTR2 O43614 7/20 0.36
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC6 Q9UBN7 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
FFAR1 O14842 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
SCHEMBL19959032 1.00 LOX (0.38) LOXLOXL2HCRTR1HCRTR2MKNK1
SCHEMBL16450604 0.84 LOX (0.45) LOXLOXL2HCRTR1HCRTR2KCNH2
SCHEMBL20231806 0.82 HCRTR1 (0.35) LOXLOXL2HCRTR1HCRTR2MKNK1
SCHEMBL17300714 0.81 LOX (0.50) LOXLOXL2HCRTR1HCRTR2HDAC6
SCHEMBL18591821 0.81 HCRTR1 (0.35) LOXLOXL2HCRTR1HCRTR2
SCHEMBL18591771 0.81 HCRTR1 (0.35) LOXLOXL2HCRTR1HCRTR2
SCHEMBL18551160 0.80 LOX (0.44) LOXLOXL2HCRTR1HCRTR2MKNK1
SCHEMBL30230202 0.80 LOX (0.44) LOXLOXL2HCRTR1HCRTR2MKNK1
SCHEMBL23350049 0.79 LOX (0.35) LOXLOXL2HCRTR1HCRTR2KCNH2
SCHEMBL20443715 0.78 LOX (0.34) LOXLOXL2HCRTR1HCRTR2OPRK1

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-20210040081-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. 2021-02-11 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-20210040081-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ESR1, GPER1, ESR2 LOX 190/4885LOXL2 1507/4885HCRTR1 721/4885

“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.