SCHEMBL5407264

SCHEMBL5407264

CC(C1CCCCN1)N1C(=O)CSC1c1cccc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.39
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
TEAD1 P28347 1/20 0.38
CACNA1B Q00975 1/20 0.38
ADORA1 P30542 6/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ADORA2A P29274 5/20 0.35
KCNH2 Q12809 4/20 0.35
CYP3A4 P08684 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2B P29275 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 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
SCHEMBL5392584 0.97 HTR7 (0.39) HTR7DRD3DRD2TEAD1CACNA1B
SCHEMBL5404025 0.89 SLC6A3 (0.41) SLC6A2SLC6A4SLC6A3HTT
SCHEMBL5408891 0.88 ALDH1A1 (0.37) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19
SCHEMBL5418659 0.87 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19
SCHEMBL5402539 0.86 MDM2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL5402981 0.86 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL5406382 0.85 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL5398006 0.82 KCNA5 (0.40) DRD2SLC6A2SLC6A4SLC6A3ADRA1A
SCHEMBL5417245 0.79 SLC6A3 (0.41) SLC6A2SLC6A4SLC6A3LMNATSHR
SCHEMBL5403565 0.79 POLR1A (0.38) SLC6A2SLC6A4SLC6A3CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169782-B2 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-30 US claimed
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2004-09-09 US claimed
EP-1417187-A1 ARYL SUBSTITUTED THIAZOLIDINONES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2004-05-12 EP claimed
US-20030109521-A1 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE, S.A. 2003-06-12 US claimed
WO-2003008398-A1 ARYL SUBSTITUTED THIAZOLIDINONES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2003-01-30 WO claimed
US-7169782-B2 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-30 US disclosed
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2004-09-09 US disclosed
EP-1417187-A1 ARYL SUBSTITUTED THIAZOLIDINONES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2004-05-12 EP disclosed
US-20030109521-A1 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE, S.A. 2003-06-12 US disclosed
WO-2003008398-A1 ARYL SUBSTITUTED THIAZOLIDINONES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2003-01-30 WO 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-20030109521-A1 Aryl substituted thiazolidinones and the use thereof CACNA1S, CACNA1I, CACNA1C HTR7 1272/4885DRD3 280/4885DRD2 489/4885
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof CACNA1S, CACNA1I, NLN HTR7 929/4885DRD3 132/4885DRD2 247/4885

“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.