SCHEMBL1805475

SCHEMBL1805475

CC(C)(C)OC(=O)N1C[C@H]2CNC(=O)c3cc(-c4ccc(F)cc4)ccc3[C@@H]2C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.51
HDAC1 Q13547 4/20 0.51
BACE1 P56817 2/20 0.41
USP30 Q70CQ3 1/20 0.41
LIPE Q05469 1/20 0.38
BTK Q06187 3/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
MMP13 P45452 1/20 0.37

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
SCHEMBL1805473 1.00 HDAC2 (0.51) HDAC2HDAC1BACE1USP30LIPE
SCHEMBL1803813 0.92 CCNT1 (0.43) HDAC2HDAC1USP30LIPEKDM4E
SCHEMBL1803811 0.92 CCNT1 (0.43) HDAC2HDAC1USP30LIPEKDM4E
SCHEMBL1806634 0.90 USP30 (0.42) HDAC2HDAC1USP30LIPEBTK
SCHEMBL1806636 0.90 USP30 (0.42) HDAC2HDAC1USP30LIPEBTK
SCHEMBL1805545 0.86 GPR119 (0.43) HDAC2HDAC1USP30LIPEBTK
SCHEMBL1805544 0.86 GPR119 (0.43) HDAC2HDAC1USP30LIPEBTK
SCHEMBL1805777 0.86 USP30 (0.45) HDAC2HDAC1BACE1USP30LIPE
SCHEMBL1805774 0.86 USP30 (0.45) HDAC2HDAC1BACE1USP30LIPE
SCHEMBL1808022 0.85 USP30 (0.41) USP30LIPEBTKKDM4E

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
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 HDAC2 1244/4885HDAC1 1512/4885BACE1 3831/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C HDAC2 1244/4885HDAC1 1512/4885BACE1 3831/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C HDAC2 1244/4885HDAC1 1512/4885BACE1 3831/4885

“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.