SCHEMBL20007415

SCHEMBL20007415

CN(C(=O)[C@@H](N)CCc1cc(F)cc(F)c1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.40
HSP90AB1 P08238 7/20 0.39
AOC3 Q16853 4/20 0.39
STAT6 P42226 1/20 0.39
MAPT P10636 2/20 0.38
GPR183 P32249 1/20 0.38
AKR1C3 P42330 1/20 0.37
NTRK1 P04629 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
NAPEPLD Q6IQ20 1/20 0.37
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18180392 0.89 HSP90AA1 (0.41) HSP90AA1HSP90AB1AOC3STAT6MAPT
SCHEMBL21992683 0.82 HSP90AA1 (0.42) HSP90AA1HSP90AB1AOC3STAT6MAPT
SCHEMBL20007716 0.80 PER2 (0.32)
SCHEMBL20007132 0.80 AOC3 (0.37) HSP90AA1HSP90AB1AOC3MAPTGPR183
SCHEMBL19969131 0.78 NR1H4 (0.40) MAPTHTTRAB9ASMN1; SMN2
SCHEMBL18180275 0.73 CTSK (0.41) HSP90AA1AOC3MAPT
SCHEMBL19962141 0.72 BACE1 (0.38) HSP90AA1HSP90AB1AOC3STAT6MAPT
SCHEMBL18317595 0.68 CIT (0.39) MAPTSMN1; SMN2
SCHEMBL18180401 0.68 CIT (0.39) MAPTSMN1; SMN2
SCHEMBL18179956 0.68 CIT (0.37) MAPTSMN1; SMN2

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 HSP90AA1 2227/4885HSP90AB1 1599/4885AOC3 4284/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H HSP90AA1 2227/4885HSP90AB1 1599/4885AOC3 4284/4885

“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.