SCHEMBL4238548

SCHEMBL4238548

CCN(CC)C(=O)N=c1sc(C)cn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
PPARG P37231 3/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
KCNQ3 O43525 3/20 0.34
KCNQ2 O43526 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 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
SCHEMBL4238547 1.00 HCRTR2 (0.38) HCRTR2NPC1RAB9ACNR1CNR2
SCHEMBL2870090 0.88 NPC1 (0.40) NPC1RAB9ACNR1CNR2PPARD
SCHEMBL2870093 0.88 NPC1 (0.40) NPC1RAB9ACNR1CNR2PPARD
SCHEMBL2872822 0.86 TRPM8 (0.35) CNR1CNR2MAPT
SCHEMBL2872819 0.86 TRPM8 (0.35) CNR1CNR2MAPT
SCHEMBL2862430 0.85 NPC1 (0.38) NPC1RAB9ACNR1CNR2PPARD
SCHEMBL2842628 0.85 MAPK1 (0.39) NPC1RAB9APPARGPOLBMAPT
SCHEMBL2842632 0.85 MAPK1 (0.39) NPC1RAB9APPARGPOLBMAPT
SCHEMBL2862428 0.85 NPC1 (0.38) NPC1RAB9ACNR1CNR2PPARD
SCHEMBL2868887 0.84 NPC1 (0.42) NPC1RAB9ACNR1CNR2PPARD

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 7 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
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US 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
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US 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 HCRTR2 538/4885NPC1 1253/4885RAB9A 1612/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 HCRTR2 63/4885NPC1 1383/4885RAB9A 917/4885

“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.