SCHEMBL1853764

SCHEMBL1853764

N#Cc1ccc2[nH]cc(C[C@H]3COCCN3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.57
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL1177038 0.83 HTR2C (0.48) SLC6A4DRD3HTR1A
SCHEMBL1177126 0.83 HTR1D (0.49) SLC6A4DRD2DRD3SLC6A3HTR1A
SCHEMBL8790821 0.81 SLC6A4 (0.78) SLC6A4
SCHEMBL8790813 0.81 SLC6A4 (0.78) SLC6A4
SCHEMBL1177663 0.80 HTR6 (0.64) SLC6A4
SCHEMBL1177387 0.80 HTR6 (0.64) SLC6A4
SCHEMBL1176924 0.80 HTR6 (0.64) SLC6A4
SCHEMBL1856158 0.79 MAPK1 (0.44) SLC6A4DRD4HTR1A
SCHEMBL946800 0.79 SLC6A4 (0.36) SLC6A4HTR1A
SCHEMBL1854940 0.78 NQO2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
US-8168634-B2 Thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-05-01 US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-11-25 US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA SLC6A4 2737/4885DRD2 2462/4885DRD4 2865/4885
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors TEC, BTK, PI4KA SLC6A4 2178/4885DRD2 2725/4885DRD4 3491/4885

“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.