SCHEMBL21296716

SCHEMBL21296716

CCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c2n1CCC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.41
UBE2N P61088 1/20 0.41
MEN1 O00255 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL21296693 0.86 MAPK1 (0.44) MAPK1ALDH1A1GAAKMT2AMEN1
SCHEMBL21296661 0.84 MAPK1 (0.43) MAPK1ALDH1A1GAAKMT2AMEN1
SCHEMBL21296646 0.82 MAPK1 (0.47) MAPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL22307957 0.80 MAPK1 (0.50) MAPK1ALDH1A1GAAHPGDTSHR
SCHEMBL22307958 0.80 MAPK1 (0.50) MAPK1ALDH1A1GAAHPGDTSHR
SCHEMBL25706774 0.78 SLC10A1 (0.44) MAPK1ALDH1A1KMT2AMEN1
SCHEMBL25706772 0.77 SLC10A1 (0.44) MAPK1ALDH1A1KMT2AMEN1
SCHEMBL13857264 0.75 MAPK1 (0.53) MAPK1ALDH1A1GAAHPGDCYP1A2
SCHEMBL21378231 0.74 SLC10A1 (0.48) MAPK1ALDH1A1KMT2AMEN1
SCHEMBL21378230 0.74 SLC10A1 (0.48) MAPK1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3759109-B1 SUBSTITUTED PYRROLIZINE COMPOUNDS AS HBV REPLICATION INHIBITORS GILEAD SCIENCES INC (US) 2023-08-30 EP disclosed
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-05-11 US disclosed
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-05-11 US disclosed
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-05-11 US disclosed
US-11420974-B2 Substituted pyrrolizine compounds and uses thereof GILEAD SCIENCES, INC. (US) 2022-08-23 US disclosed
US-20210147429-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2021-05-20 US disclosed
US-20210147429-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2021-05-20 US disclosed
EP-3759109-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AS HBV REPLICATION INHIBITORS GILEAD SCIENCES, INC. (US) 2021-01-06 EP disclosed
US-10836769-B2 Substituted pyrrolizine compounds and uses thereof GILEAD SCIENCES, INC. (US) 2020-11-17 US disclosed
US-10836769-B2 Substituted pyrrolizine compounds and uses thereof GILEAD SCIENCES, INC. (US) 2020-11-17 US disclosed
CN-111788204-A Substituted pyrrolizine compounds as inhibitors of HBV replication 吉利德科学公司 2020-10-16 CN disclosed
US-20190292187-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2019-09-26 US disclosed
US-20190292187-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2019-09-26 US disclosed
WO-2019165374-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AS HBV REPLICATION INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-29 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 (5 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-20210147429-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS MAPK1 3270/4885ALDH1A1 4332/4885GAA 2701/4885
US-10836769-B2 Substituted pyrrolizine compounds and uses thereof HMBS, DHFR, HCCS MAPK1 3270/4885ALDH1A1 4332/4885GAA 2701/4885
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS MAPK1 3270/4885ALDH1A1 4332/4885GAA 2701/4885
US-11420974-B2 Substituted pyrrolizine compounds and uses thereof HMBS, DHFR, HCCS MAPK1 3270/4885ALDH1A1 4332/4885GAA 2701/4885
US-20190292187-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS MAPK1 3270/4885ALDH1A1 4332/4885GAA 2701/4885

“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.