SCHEMBL1805545

SCHEMBL1805545

CC(C)(C)OC(=O)N1C[C@H]2CNC(=O)c3cc(-c4ccc5c(c4)C(=O)CC5)ccc3[C@@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.43
USP30 Q70CQ3 1/20 0.39
BTK Q06187 3/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ESR2 Q92731 1/20 0.36
NR1H2 P55055 1/20 0.35
LIPE Q05469 1/20 0.35
CRBN Q96SW2 3/20 0.35
DDB1 Q16531 2/20 0.35
RORC P51449 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL1805544 1.00 GPR119 (0.43) GPR119USP30BTKHDAC1HDAC2
SCHEMBL1805473 0.86 HDAC2 (0.51) USP30BTKHDAC1HDAC2KDM4E
SCHEMBL1805475 0.86 HDAC2 (0.51) USP30BTKHDAC1HDAC2KDM4E
SCHEMBL861643 0.86 PBRM1 (0.34) KDM4ENPC1
SCHEMBL1806634 0.84 USP30 (0.42) GPR119USP30BTKHDAC1HDAC2
SCHEMBL1806636 0.84 USP30 (0.42) GPR119USP30BTKHDAC1HDAC2
SCHEMBL1805774 0.84 USP30 (0.45) GPR119USP30BTKHDAC1HDAC2
SCHEMBL1805777 0.84 USP30 (0.45) GPR119USP30BTKHDAC1HDAC2
SCHEMBL1808022 0.83 USP30 (0.41) GPR119USP30BTKKDM4EPIM1
SCHEMBL1808023 0.83 USP30 (0.41) GPR119USP30BTKKDM4EPIM1

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 10 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
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 GPR119 198/4885USP30 3337/4885BTK 4210/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C GPR119 198/4885USP30 3337/4885BTK 4210/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C GPR119 198/4885USP30 3337/4885BTK 4210/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C GPR119 198/4885USP30 3337/4885BTK 4210/4885

“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.