SCHEMBL23026166

SCHEMBL23026166

CCCC(C)Cc1ncc(C)cn1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.35
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
NOS2 P35228 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
SCHEMBL19185626 0.82 APLNR (0.34) APLNRTSHRCA12CA2CA9
SCHEMBL19388196 0.79 TSHR (0.36) TSHR
SCHEMBL2629371 0.76 APLNR (0.41) APLNRNOS2
SCHEMBL29313351 0.76 TLR8 (0.34) TSHR
SCHEMBL1331897 0.72 APLNR (0.39) APLNR
SCHEMBL24923750 0.72 APLNR (0.39) APLNR
SCHEMBL18254626 0.72 APLNR (0.48) APLNRNOS2
SCHEMBL19185894 0.72 APLNR (0.35) APLNRTSHR
SCHEMBL12457576 0.69 DHFR (0.35) APLNRNOS2
SCHEMBL13118211 0.68 NOS3 (0.40) APLNRNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11724997-B2 Compounds and compositions for treating conditions associated with APJ receptor activity ANNAPURNA BIO, INC. (US) 2023-08-15 US disclosed
US-20210053936-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2021-02-25 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 (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-11724997-B2 Compounds and compositions for treating conditions associated with APJ receptor activity APLNR, AGTR1, AGTR2 APLNR 1/4885TSHR 1266/4885CA12 1955/4885
US-20210053936-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 APLNR 1/4885TSHR 1266/4885CA12 1955/4885

“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.