SCHEMBL1805752

SCHEMBL1805752

O=C1NC[C@@H]2CNC[C@H]2c2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.42
PARP1 P09874 2/20 0.42
PARP10 Q53GL7 2/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
FABP6 P51161 1/20 0.39
HTR2A P28223 6/20 0.37
HTR2B P41595 6/20 0.37
CHRNA7 P36544 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
PARP2 Q9UGN5 1/20 0.33
PARP11 Q9NR21 1/20 0.33
LRRK2 Q5S007 1/20 0.33
GRM5 P41594 1/20 0.33
ACHE P22303 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL1805749 1.00 HTR2C (0.42) HTR2CPARP1PARP10CHRNB2CHRNB4
SCHEMBL2599004 1.00 HTR2C (0.42) HTR2CPARP1PARP10CHRNB2CHRNB4
SCHEMBL2599007 1.00 HTR2C (0.42) HTR2CPARP1PARP10CHRNB2CHRNB4
SCHEMBL861164 0.89 HDAC2 (0.37) HTR2CPARP1PARP10CHRNB2CHRNB4
SCHEMBL2599139 0.89 HDAC2 (0.37) HTR2CPARP1PARP10CHRNB2CHRNB4
SCHEMBL861165 0.89 HDAC2 (0.37) HTR2CPARP1PARP10CHRNB2CHRNB4
SCHEMBL860214 0.88 HTR2C (0.42) HTR2CPARP1PARP10CHRNB2CHRNB4
SCHEMBL2599191 0.88 HTR2C (0.42) HTR2CPARP1PARP10CHRNB2CHRNB4
SCHEMBL860215 0.88 HTR2C (0.42) HTR2CPARP1PARP10CHRNB2CHRNB4
SCHEMBL2599193 0.88 HTR2C (0.42) HTR2CPARP1PARP10CHRNB2CHRNB4

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 19 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-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
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US 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-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 HTR2C 4/4885PARP1 3789/4885PARP10 3526/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C HTR2C 4/4885PARP1 3789/4885PARP10 3526/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C HTR2C 4/4885PARP1 3789/4885PARP10 3526/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C HTR2C 4/4885PARP1 3789/4885PARP10 3526/4885

“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.