SCHEMBL4932706

SCHEMBL4932706

CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(c3ccc(=O)[nH]n3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.56
SMO Q99835 1/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.49
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
GPR119 Q8TDV5 8/20 0.47
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
KMT2A Q03164 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
SCHEMBL3098745 0.89 HRH3 (0.56) HRH3DDB1CRBNGPR119CKS1B
Hydrochloric Acid SCHEMBL4941484 0.79 SMO (0.52) HRH3SMOHPGDCKS1BSKP1
SCHEMBL6182019 0.76 GPR119 (0.60) HRH3HPGDRECQLGPR119MAPT
SCHEMBL25191738 0.75 DDB1 (0.63) HPGDRECQLDDB1CRBNGPR119
SCHEMBL25504357 0.75 DDB1 (0.63) HPGDRECQLDDB1CRBNGPR119
SCHEMBL25504254 0.75 DDB1 (0.49) HRH3HPGDRECQLDDB1CRBN
SCHEMBL6978836 0.75 GPR119 (0.57) HPGDRECQLGPR119CKS1BSKP1
SCHEMBL6981587 0.75 GPR119 (0.59) HPGDRECQLGPR119CKS1BSKP1
SCHEMBL3640180 0.75 HRH3 (0.43) HRH3SMODDB1CRBNGPR119
SCHEMBL4890873 0.74 LMNA (0.55) HRH3SMOHPGDRECQLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa ASTRAZENECA AB (SE) 2008-09-04 US disclosed
WO-2007008143-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 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-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa F10, F12, F11 HRH3 31/4885SMO 1477/4885HPGD 2101/4885

“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.