SCHEMBL21701327

SCHEMBL21701327

C=C(CCC)B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38

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
SCHEMBL21855465 0.82 APLNR (0.38) APLNR
SCHEMBL13732902 0.81 APLNR (0.41) APLNR
SCHEMBL21123498 0.78 APLNR (0.35) APLNR
SCHEMBL21855470 0.77 APLNR (0.34) APLNR
SCHEMBL23415526 0.76 APLNR (0.41) APLNR
SCHEMBL25167860 0.75 APLNR (0.38) APLNR
SCHEMBL15339551 0.74 APLNR (0.39) APLNR
SCHEMBL28838661 0.72 APLNR (0.34) APLNR
SCHEMBL25139132 0.71 APLNR (0.37) APLNR
SCHEMBL19814825 0.71 APLNR (0.37) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820759-B2 Modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2023-11-21 US disclosed
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 US disclosed
WO-2022119899-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME BC1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN SHIONOGI & CO., LTD. (JP) 2022-06-09 WO disclosed
US-20220009912-A1 MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2022-01-13 US disclosed
US-11021482-B2 Pyrrolopyrimidine ITK inhibitors Adaris Therapeutics, Inc. (US) 2021-06-01 US disclosed
US-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. 2020-02-13 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 (5 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-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ITK, PDXK, DMPK APLNR 2896/4885
US-11820759-B2 Modulators of chemokine receptors CCR5, CXCR3, CCR2 APLNR 211/4885
US-11021482-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK APLNR 2896/4885
US-20220009912-A1 MODULATORS OF CHEMOKINE RECEPTORS CCR5, CXCR3, CCR2 APLNR 211/4885
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS APLNR 4217/4885

“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.