SCHEMBL23257568

SCHEMBL23257568

CS(C)(C)CCOCN1C(=O)C2(Cc3ccc(N)cc3C2)c2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.34
EGLN1 Q9GZT9 1/20 0.32
BACE1 P56817 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
SCHEMBL23257628 0.89 EGLN1 (0.34) CALCRLEGLN1BACE1
SCHEMBL1393836 0.87 CALCRL (0.36) CALCRLEGLN1BACE1
SCHEMBL1274952 0.87 CALCRL (0.36) CALCRLEGLN1BACE1
SCHEMBL260667 0.87 CALCRL (0.36) CALCRLEGLN1BACE1
SCHEMBL29368427 0.87 CALCRL (0.36) CALCRLEGLN1BACE1
SCHEMBL23257603 0.85 LMNA (0.35) CALCRL
SCHEMBL23257421 0.85 CALCRL (0.32) CALCRL
SCHEMBL20007592 0.83 EGLN1 (0.38) CALCRLEGLN1
SCHEMBL23257909 0.82 POLB (0.34) CALCRLEGLN1
SCHEMBL23257332 0.81

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-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 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-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 CALCRL 9/4885EGLN1 4060/4885BACE1 478/4885

“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.