SCHEMBL1807112

SCHEMBL1807112

CN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(F)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
RORC P51449 1/20 0.42
LIPE Q05469 2/20 0.42
PLK1 P53350 1/20 0.41
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
KDM4E B2RXH2 1/20 0.39
PDE4B Q07343 1/20 0.39
NR1H2 P55055 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
TACR1 P25103 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38

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
SCHEMBL1807110 1.00 USP30 (0.44) USP30HDAC1HDAC2RORCLIPE
SCHEMBL1802220 0.86 USP30 (0.43) USP30RORCLIPEKDM4EPDE4B
SCHEMBL1802217 0.86 USP30 (0.43) USP30RORCLIPEKDM4EPDE4B
SCHEMBL860585 0.84 MC4R (0.38)
SCHEMBL1808589 0.83 LIPE (0.44) USP30RORCLIPEKDM4EPDE4B
SCHEMBL1808590 0.83 LIPE (0.44) USP30RORCLIPEKDM4EPDE4B
SCHEMBL1803813 0.83 CCNT1 (0.43) USP30HDAC1HDAC2RORCLIPE
SCHEMBL1803811 0.83 CCNT1 (0.43) USP30HDAC1HDAC2RORCLIPE
SCHEMBL1807354 0.81 USP30 (0.48) USP30HDAC1HDAC2RORCLIPE
SCHEMBL1807358 0.81 USP30 (0.48) USP30HDAC1HDAC2RORCLIPE

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 3337/4885HDAC1 1512/4885HDAC2 1244/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C USP30 3337/4885HDAC1 1512/4885HDAC2 1244/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C USP30 3337/4885HDAC1 1512/4885HDAC2 1244/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C USP30 3337/4885HDAC1 1512/4885HDAC2 1244/4885

“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.