SCHEMBL860469

SCHEMBL860469

O=C1CCc2ccc(-c3ccc4c(c3)C(=O)NC[C@@H]3CNC[C@@H]43)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.36
BRD4 O60885 1/20 0.36
CLK4 Q9HAZ1 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
NTRK2 Q16620 2/20 0.35
TYRO3 Q06418 1/20 0.35
FYN P06241 1/20 0.35
HTR2C P28335 3/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
MET P08581 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MST1R Q04912 1/20 0.35
NTRK3 Q16288 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
SCHEMBL2598948 1.00 PBRM1 (0.36) PBRM1BRD4CLK4DYRK1BNTRK2
SCHEMBL860468 1.00 PBRM1 (0.36) PBRM1BRD4CLK4DYRK1BNTRK2
SCHEMBL2598951 1.00 PBRM1 (0.36) PBRM1BRD4CLK4DYRK1BNTRK2
Hydrochloric Acid SCHEMBL20575420 0.99 PBRM1 (0.35) PBRM1BRD4CLK4DYRK1BNTRK2
Hydrochloric Acid SCHEMBL861884 0.99 PBRM1 (0.35) PBRM1BRD4CLK4DYRK1BNTRK2
Hydrochloric Acid SCHEMBL861883 0.99 PBRM1 (0.35) PBRM1BRD4CLK4DYRK1BNTRK2
SCHEMBL1805518 0.81 MAOB (0.36) METGSK3BNPC1ALDH1A1HPGD
SCHEMBL860636 0.81 BRD4 (0.36) PBRM1BRD4CLK4DYRK1BNTRK2
SCHEMBL1805520 0.81 MAOB (0.36) METGSK3BNPC1ALDH1A1HPGD
SCHEMBL860635 0.81 BRD4 (0.36) PBRM1BRD4CLK4DYRK1BNTRK2

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 18 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 claimed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US claimed
US-9187483-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2015-11-17 US claimed
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP claimed
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP claimed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US claimed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO claimed
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 PBRM1 3710/4885BRD4 2085/4885CLK4 3097/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PBRM1 3710/4885BRD4 2085/4885CLK4 3097/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PBRM1 3710/4885BRD4 2085/4885CLK4 3097/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PBRM1 3710/4885BRD4 2085/4885CLK4 3097/4885

“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.