SCHEMBL16489889

SCHEMBL16489889

C=Cc1ncc(C)nc1/C=C\C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDXK O00764 1/20 0.34
APLNR P35414 1/20 0.31

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
SCHEMBL24466449 0.92 PDXK (0.34) PDXKAPLNR
SCHEMBL20508936 0.78 APLNR (0.33) APLNR
SCHEMBL30689648 0.78 APLNR (0.33) APLNR
SCHEMBL20508935 0.78 APLNR (0.33) APLNR
SCHEMBL7702100 0.78 NOS2 (0.34) APLNR
SCHEMBL12408953 0.78 APLNR (0.33) APLNR
SCHEMBL10251978 0.76 PDXK (0.33) PDXK
SCHEMBL10307330 0.75 PDXK (0.35) PDXK
SCHEMBL1311900 0.75 PDXK (0.38) PDXK
SCHEMBL29922826 0.75 PDXK (0.35) PDXK

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-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 US disclosed
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-02-17 US disclosed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 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 (3 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-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof REN, NR3C2, PKD1 PDXK 2404/4885APLNR 4214/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS PDXK 3307/4885APLNR 809/4885
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 PDXK 2404/4885APLNR 4214/4885

“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.