SCHEMBL4928318

SCHEMBL4928318

CC(C)(C)OC(=O)N1CCN(c2ccc(OCCN3CCOCC3)c(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TLR9 Q9NR96 1/20 0.53
TLR7 Q9NYK1 1/20 0.53
SUV39H2 Q9H5I1 3/20 0.49
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
KMO O15229 2/20 0.48
JAK2 O60674 2/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 1/20 0.45
MAPK1 P28482 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL5579943 0.83 ALDH1A1 (0.53) MAPTHTTALDH1A1HTR2CHTR2B
SCHEMBL3332134 0.82 GPR119 (0.58) MAPTHTTALDH1A1TLR9TLR7
SCHEMBL145928 0.82 JAK2 (0.63) JAK2
SCHEMBL23724067 0.81 TLR9 (0.53) MAPTALDH1A1TLR9TLR7LMNA
SCHEMBL5368903 0.81 POLB (0.52) ALDH1A1TLR9TLR7SMN1; SMN2EPHX2
SCHEMBL4724872 0.79 SUV39H2 (0.59) MAPTHTTALDH1A1SUV39H2LMNA
SCHEMBL20198148 0.78 MGLL (0.55) MAPTHTTALDH1A1LMNASMN1; SMN2
SCHEMBL1722245 0.78 SMN1; SMN2 (0.57) MAPTHTTALDH1A1LMNATSHR
SCHEMBL16742577 0.77 MAPT (0.47) MAPTHTTALDH1A1LMNATSHR
SCHEMBL4826310 0.77 SIGMAR1 (0.54) MAPTHTTALDH1A1TLR9TLR7

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-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 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 (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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 MAPT 4051/4885HTT 3375/4885ALDH1A1 4305/4885

“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.