SCHEMBL860850

SCHEMBL860850

CN1C[C@@H]2CNC(=O)c3cc(F)ccc3[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
PARP10 Q53GL7 1/20 0.39
FABP6 P51161 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
SRD5A1 P18405 3/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL2598004 1.00 PARP1 (0.39) PARP1PARP10FABP6HRH4HRH3
SCHEMBL2598003 1.00 PARP1 (0.39) PARP1PARP10FABP6HRH4HRH3
SCHEMBL860851 1.00 PARP1 (0.39) PARP1PARP10FABP6HRH4HRH3
SCHEMBL861567 0.91 HRH3 (0.38) PARP1PARP10HRH3MC4RMC5R
SCHEMBL860764 0.91 HRH3 (0.38) PARP1PARP10HRH3MC4RMC5R
SCHEMBL2599121 0.91 HRH3 (0.38) PARP1PARP10HRH3MC4RMC5R
SCHEMBL2599125 0.91 HRH3 (0.38) PARP1PARP10HRH3MC4RMC5R
SCHEMBL860670 0.91 PARP1 (0.38) PARP1PARP10FABP6HRH4HRH3
SCHEMBL860671 0.91 PARP1 (0.38) PARP1PARP10FABP6HRH4HRH3
SCHEMBL1805505 0.90 TDP2 (0.40) PARP1PARP10HRH3CA1CA2

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 23 patents — showing the first 20. 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-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP claimed
EP-2641907-A1 Preparation of modulators of 5-HT receptors AbbVie Inc. (US) 2013-09-25 EP 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-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 US 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-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP disclosed
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO 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 PARP1 3789/4885PARP10 3526/4885FABP6 1106/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PARP1 3789/4885PARP10 3526/4885FABP6 1106/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PARP1 3789/4885PARP10 3526/4885FABP6 1106/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PARP1 3789/4885PARP10 3526/4885FABP6 1106/4885

“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.