SCHEMBL1856022

SCHEMBL1856022

[CH](c1cc2ccccc2[nH]1)C1CNCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
CYP2D6 P10635 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAOB P27338 3/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 1/20 0.39
MAPT P10636 1/20 0.38
IDO1 P14902 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL1852230 0.76 SSTR4 (0.44) CYP2A6CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9704857 0.75 DRD2 (0.50) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL948361 0.72 SLC6A2 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4154207 0.67 MEN1 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6158501 0.66 CYP2A6 (0.64) CYP2A6CYP2D6MAOBMAPTIDO1
SCHEMBL3809659 0.66 CYP2A6 (0.64) CYP2A6CYP2D6MAOBMAPTIDO1
SCHEMBL28181946 0.66 CYP2A6 (0.69) CYP2A6CYP2D6MAOBMAPTIDO1
SCHEMBL2458425 0.66 CYP2A6 (0.69) CYP2A6CYP2D6MAOBMAPTIDO1
SCHEMBL2458423 0.66 CYP2A6 (0.69) CYP2A6CYP2D6MAOBMAPTIDO1
Phosphine SCHEMBL29222824 0.65 CYP2A6 (0.62) CYP2A6CYP2D6MAOBMAPTIDO1

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 9 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
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071888-A1 PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 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 (1 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 CYP2A6 2110/4885CYP2D6 1689/4885SLC6A2 4593/4885

“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.