SCHEMBL1805774

SCHEMBL1805774

CC(=O)c1cccc(-c2ccc3c(c2)C(=O)NCC2CN(C(=O)OC(C)(C)C)CC32)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.45
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
CRBN Q96SW2 1/20 0.42
TDP2 O95551 1/20 0.39
BTK Q06187 3/20 0.39
BACE1 P56817 1/20 0.38
CHEK1 O14757 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LIPE Q05469 1/20 0.35

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
SCHEMBL1805777 1.00 USP30 (0.45) USP30PARP10PARP11CRBNTDP2
SCHEMBL1803318 0.90 USP30 (0.43) USP30CRBNBTKBACE1HDAC1
SCHEMBL1803316 0.90 USP30 (0.43) USP30CRBNBTKBACE1HDAC1
SCHEMBL1805475 0.86 HDAC2 (0.51) USP30BTKBACE1HDAC1HDAC2
SCHEMBL1806636 0.86 USP30 (0.42) USP30BTKHDAC1HDAC2GPR119
SCHEMBL1805473 0.86 HDAC2 (0.51) USP30BTKBACE1HDAC1HDAC2
SCHEMBL1806634 0.86 USP30 (0.42) USP30BTKHDAC1HDAC2GPR119
SCHEMBL1803915 0.86 USP30 (0.42) USP30CRBNBTKHDAC1HDAC2
SCHEMBL1803914 0.86 USP30 (0.42) USP30CRBNBTKHDAC1HDAC2
SCHEMBL1806973 0.86 GPR119 (0.46) USP30BTKGPR119

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
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-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 3337/4885PARP10 3526/4885PARP11 3755/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C USP30 3337/4885PARP10 3526/4885PARP11 3755/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C USP30 3337/4885PARP10 3526/4885PARP11 3755/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C USP30 3337/4885PARP10 3526/4885PARP11 3755/4885

“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.