SCHEMBL25554386

SCHEMBL25554386

CC(C)NCCNC[C@H]1CCC(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.38
PDCD1LG2 Q9BQ51 16/20 0.38
PDCD1 Q15116 4/20 0.37

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
SCHEMBL17776624 0.85 CYP1A2 (0.44) CD274PDCD1LG2PDCD1
SCHEMBL19760882 0.85 CYP1A2 (0.44) CD274PDCD1LG2PDCD1
SCHEMBL16750022 0.85 CYP1A2 (0.44) CD274PDCD1LG2PDCD1
SCHEMBL6957136 0.83 CD274 (0.39) CD274PDCD1LG2PDCD1
SCHEMBL24127744 0.82 CTSD (0.36) CD274PDCD1LG2PDCD1
SCHEMBL21290754 0.80 CD274 (0.40) CD274PDCD1LG2PDCD1
SCHEMBL21290766 0.80 CD274 (0.40) CD274PDCD1LG2PDCD1
SCHEMBL21322394 0.79 CD274 (0.40) CD274PDCD1LG2PDCD1
SCHEMBL21322391 0.79 CD274 (0.40) CD274PDCD1LG2PDCD1
SCHEMBL21290762 0.79 CD274 (0.40) CD274PDCD1LG2PDCD1

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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-25 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 (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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF PTH1R, CALCR, VDR CD274 3791/4885PDCD1LG2 3795/4885PDCD1 4345/4885

“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.