SCHEMBL1804375

SCHEMBL1804375

CN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(-c3cccc(CCO)c3)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.44
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
BACE1 P56817 1/20 0.37
NR1H2 P55055 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TACR1 P25103 2/20 0.36
RORC P51449 1/20 0.36
TNF P01375 1/20 0.36
BRD4 O60885 1/20 0.35
RXRA P19793 1/20 0.35
NR1H3 Q13133 1/20 0.35
RET P07949 1/20 0.35
LIPE Q05469 1/20 0.35
KCNK3 O14649 2/20 0.35
KCNK9 Q9NPC2 2/20 0.35
BTK Q06187 2/20 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
SCHEMBL1804374 1.00 USP30 (0.44) USP30JAK2JAK1BACE1NR1H2
SCHEMBL1803941 0.86 USP30 (0.41) USP30JAK2JAK1NR1H2HDAC1
SCHEMBL1803943 0.86 USP30 (0.41) USP30JAK2JAK1NR1H2HDAC1
SCHEMBL1807358 0.84 USP30 (0.48) USP30BACE1HDAC1HDAC2RORC
SCHEMBL1807354 0.84 USP30 (0.48) USP30BACE1HDAC1HDAC2RORC
SCHEMBL860481 0.83 BACE1 (0.43) BACE1BRD4
SCHEMBL1807112 0.79 USP30 (0.44) USP30BACE1NR1H2HDAC1HDAC2
SCHEMBL1807110 0.79 USP30 (0.44) USP30BACE1NR1H2HDAC1HDAC2
SCHEMBL1802220 0.78 USP30 (0.43) USP30BACE1RORCLIPE
SCHEMBL1802217 0.78 USP30 (0.43) USP30BACE1RORCLIPE

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
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
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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 (3 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 3337/4885JAK2 694/4885JAK1 1710/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C USP30 3337/4885JAK2 694/4885JAK1 1710/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C USP30 3337/4885JAK2 694/4885JAK1 1710/4885

“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.