SCHEMBL14979644

SCHEMBL14979644

COC(=O)[C@@H]1C[C@H](CO)CN1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
ARG1 P05089 1/20 0.39
KMT2A Q03164 1/20 0.33
CHEK2 O96017 2/20 0.33
OGA O60502 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL19339911 1.00 DPP4 (0.42) DPP4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5500605 1.00 DPP4 (0.42) DPP4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14979667 1.00 DPP4 (0.42) DPP4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14538332 1.00 DPP4 (0.42) DPP4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23214633 0.84 GRIN2D (0.41) ARG1KMT2A
SCHEMBL14979674 0.83 CHRNB2 (0.39) DPP4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14467426 0.83 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30571958 0.83 CHRNB2 (0.39) DPP4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17341180 0.82 CHRNB2 (0.37) DPP4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17715154 0.82 NR1H2 (0.43) DPP4ARG1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 US disclosed
EP-3239152-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2017-11-01 EP disclosed
EP-3239153-A1 9-(1H-IMIDAZOL-5-YL)-1,11-DIHYDROISOCHROMENO[4',3':6,7]NAPHTHO[1,2-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF HCV NS5A Gilead Pharmasset LLC (US) 2017-11-01 EP disclosed
EP-2935279-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed
EP-2907816-A1 Condensed imidazolylimidazoles as antiviral compounds Gilead Pharmasset LLC (US) 2015-08-19 EP disclosed
WO-2014100500-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-06-26 WO disclosed
WO-2013075029-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-23 WO 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-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 DPP4 136/4885CHRNB2 4874/4885CHRNA4 4869/4885

“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.