SCHEMBL1808022

SCHEMBL1808022

CC(C)(C)OC(=O)N1CC2CNC(=O)c3cc(O)ccc3C2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LIPE Q05469 2/20 0.39
PDE4B Q07343 5/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
NR1H2 P55055 1/20 0.38
BTK Q06187 3/20 0.37
RORC P51449 1/20 0.37
GPR119 Q8TDV5 2/20 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
SCHEMBL1808023 1.00 USP30 (0.41) USP30ESR2KDM4ELIPEPDE4B
SCHEMBL1803811 0.88 CCNT1 (0.43) USP30KDM4ELIPEPDE4BPIM1
SCHEMBL1803813 0.88 CCNT1 (0.43) USP30KDM4ELIPEPDE4BPIM1
SCHEMBL1803563 0.88 USP30 (0.42) USP30KDM4ELIPEPDE4BPIM1
SCHEMBL1803562 0.88 USP30 (0.42) USP30KDM4ELIPEPDE4BPIM1
SCHEMBL1804180 0.86 USP30 (0.46) USP30KDM4ELIPEPIM1PIM2
SCHEMBL1804183 0.86 USP30 (0.46) USP30KDM4ELIPEPIM1PIM2
SCHEMBL1808601 0.86 USP30 (0.46) USP30KDM4ELIPEPIM1PIM2
SCHEMBL1806636 0.85 USP30 (0.42) USP30KDM4ELIPEPDE4BPIM1
SCHEMBL1805473 0.85 HDAC2 (0.51) USP30KDM4ELIPEBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US disclosed
US-9879033-B2 Modulators of 5-HT receptors and methods of use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-30 US disclosed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US disclosed
US-9187483-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2641907-A1 Preparation of modulators of 5-HT receptors AbbVie Inc. (US) 2013-09-25 EP disclosed
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 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 (4 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-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C USP30 3337/4885ESR2 733/4885KDM4E 1480/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C USP30 3337/4885ESR2 733/4885KDM4E 1480/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C USP30 3337/4885ESR2 733/4885KDM4E 1480/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C USP30 3337/4885ESR2 733/4885KDM4E 1480/4885

“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.