SCHEMBL2869601

SCHEMBL2869601

O=C(N=c1sccn1-c1cccc(C(F)(F)F)n1)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HTR1A P08908 1/20 0.34
GRIN2B Q13224 2/20 0.34
DGAT2 Q96PD7 2/20 0.33
DRD2 P14416 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
ACACB O00763 7/20 0.33
NPC1 O15118 1/20 0.33
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
PHGDH O43175 1/20 0.32

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
SCHEMBL2869597 1.00 HCRTR1 (0.38) HCRTR1HCRTR2HRH3LMNAPOLB
SCHEMBL2866835 0.83 HTR3E (0.38) HCRTR1HCRTR2NPC1
SCHEMBL2866832 0.83 HTR3E (0.38) HCRTR1HCRTR2NPC1
SCHEMBL2873326 0.81 HRH3 (0.37) HCRTR1HCRTR2HRH3LMNAPOLB
SCHEMBL2873327 0.81 HRH3 (0.37) HCRTR1HCRTR2HRH3LMNAPOLB
SCHEMBL2872549 0.80 KDM4E (0.36) HTR1A
SCHEMBL2872553 0.80 KDM4E (0.36) HTR1A
SCHEMBL2863003 0.78 HRH3 (0.40) HRH3
SCHEMBL2862042 0.78 KDM4E (0.43) HRH3LMNAPOLBHPGD
SCHEMBL2862039 0.78 KDM4E (0.43) HRH3LMNAPOLBHPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP claimed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US claimed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO claimed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO claimed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US claimed
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP disclosed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP disclosed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US disclosed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 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 (2 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-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM HCRTR1 607/4885HCRTR2 538/4885HRH3 290/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 HCRTR1 60/4885HCRTR2 63/4885HRH3 24/4885

“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.