SCHEMBL2827007

SCHEMBL2827007

NC(=O)c1ccn(CC2CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRM1 P35372 1/20 0.37
KDM4C Q9H3R0 1/20 0.35
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
PIM3 Q86V86 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
NAE1 Q13564 1/20 0.35
UBA3 Q8TBC4 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
OPRK1 P41145 2/20 0.35
DGAT1 O75907 2/20 0.34
CRHR1 P34998 1/20 0.34
KCNH2 Q12809 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17076660 0.90 OPRM1 (0.42) POLBKMT2ATDP1OPRM1JAK2
SCHEMBL30707385 0.86 IRAK4 (0.37) POLBKMT2ATDP1OPRM1KDM4C
SCHEMBL17438083 0.85 SMN1; SMN2 (0.47) POLBKMT2ATDP1KDM4CNAE1
SCHEMBL27663462 0.84 PIM1 (0.48) PIM1PIM2PIM3
SCHEMBL27663461 0.84 PIM1 (0.48) PIM1PIM2PIM3
SCHEMBL28761039 0.84 PIM1 (0.48) PIM1PIM2PIM3
SCHEMBL17065278 0.83 KMT2A (0.40) POLBKMT2ATDP1KDM4CCRHR1
SCHEMBL27682836 0.82 PARP1 (0.47) KMT2APIM1PIM2PIM3KCNH2
SCHEMBL19902354 0.81 RIPK1 (0.39) POLBKMT2ATDP1KDM4CSMN1; SMN2
SCHEMBL31708636 0.80 CNR2 (0.39) POLBKMT2ATDP1OPRM1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 POLB 4841/4885KMT2A 1012/4885TDP1 3355/4885

“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.