SCHEMBL20007592

SCHEMBL20007592

CS(C)(C)CCOCN1C(=O)C2(CC2)c2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.38
OPRL1 P41146 2/20 0.33
CALCRL Q16602 1/20 0.33

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
SCHEMBL23257662 0.84
SCHEMBL18181139 0.84 EGLN1 (0.39) EGLN1OPRL1CALCRL
SCHEMBL23257568 0.83 CALCRL (0.34) EGLN1CALCRL
SCHEMBL23257332 0.82
SCHEMBL23257628 0.82 EGLN1 (0.34) EGLN1CALCRL
SCHEMBL23257421 0.82 CALCRL (0.32) CALCRL
SCHEMBL23257603 0.80 LMNA (0.35) CALCRL
SCHEMBL23257909 0.79 POLB (0.34) EGLN1CALCRL
SCHEMBL15690620 0.78 CALCRL (0.40) EGLN1OPRL1CALCRL
SCHEMBL30683634 0.78 EGLN1 (0.37) EGLN1OPRL1CALCRL

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-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H EGLN1 1850/4885OPRL1 4132/4885CALCRL 4539/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H EGLN1 1850/4885OPRL1 4132/4885CALCRL 4539/4885

“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.