SCHEMBL1933168

SCHEMBL1933168

CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
PDE4B Q07343 3/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
TACR1 P25103 2/20 0.38
RORC P51449 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL17643760 1.00 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL17631559 1.00 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL9991418 1.00 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL1933164 1.00 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL13068627 0.89 NR1H2 (0.55) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL19097922 0.89 NR1H2 (0.55) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL13332642 0.88 NR1H2 (0.44) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL25274024 0.88 HPGD (0.43) NR1H2USP2SMN1; SMN2MEN1ALDH1A1
SCHEMBL19877029 0.88 HPGD (0.46) NR1H2USP2SMN1; SMN2MEN1ALDH1A1
SCHEMBL21748910 0.88 HPGD (0.46) NR1H2USP2SMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
CN-109053742-B Novel tricyclic compounds ABBVIE 公司 2021-06-15 CN disclosed
US-20210163409-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF PYRROLIDINE DERIVATIVES Dr Reddys Laboratories Ltd (IN) 2021-06-03 US disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 US disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 US disclosed
WO-2019016745-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF PYRROLIDINE DERIVATIVES DR. REDDY'S LABORATORIES LIMITED (IN) 2019-01-24 WO disclosed
EP-3266786-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2018-01-10 EP disclosed
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed
EP-3060234-A1 JAK1 SELECTIVE INHIBITOR AND USES THEREOF AbbVie Inc. (US) 2016-08-31 EP disclosed
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-08-04 US disclosed
US-20150118229-A1 JAK1 SELECTIVE INHIBITOR AND USES THEREOF ABBVIE INC. (US) 2015-04-30 US disclosed
WO-2015061665-A1 JAK1 SELECTIVE INHIBITOR AND USES THEREOF ABBVIE INC. (US) 2015-04-30 WO disclosed
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES 2013-08-22 US disclosed
US-8426411-B2 Tricyclic compounds ABBOTT LABORATORIES (US) 2013-04-23 US disclosed
EP-2506716-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20110311474-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-12-22 US disclosed
WO-2011068881-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 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-20210163409-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF PYRROLIDINE DERIVATIVES PRKD1, JAK1, JAK3 NR1H2 4866/4885PDE4B 429/4885USP2 1900/4885
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 NR1H2 297/4885PDE4B 1507/4885USP2 4791/4885
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 NR1H2 297/4885PDE4B 1507/4885USP2 4791/4885
US-20110311474-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 NR1H2 297/4885PDE4B 1507/4885USP2 4791/4885
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 NR1H2 297/4885PDE4B 1507/4885USP2 4791/4885

“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.