SCHEMBL6704980

SCHEMBL6704980

CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ccc3c(Cl)nccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ LOXL2 Q9Y4K0 1/20 0.49
▸ DTYMK P23919 2/20 0.49
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ ACHE P22303 2/20 0.42
▸ VEGFA P15692 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL21603319 0.83 GRIN2B (0.48) LOXL2
SCHEMBL21603316 0.83 GRIN2B (0.50) —
SCHEMBL21603502 0.82 FPR2 (0.45) POLBKDM4EALDH1A1
SCHEMBL30254388 0.82 FPR2 (0.45) POLBKDM4EALDH1A1
SCHEMBL15695740 0.75 POLB (0.44) POLBACHEMEN1KMT2A
SCHEMBL21608526 0.74 PTGDR2 (0.35) KDM4ESMN1; SMN2
SCHEMBL23885112 0.72 KMT2A (0.45) KMT2AKDM4EALDH1A1
SCHEMBL30053871 0.72 KMT2A (0.45) KMT2AKDM4EALDH1A1
SCHEMBL19145537 0.72 LOXL2 (0.47) LOXL2DTYMKCHRM2CHRM4CHRM1
SCHEMBL20676201 0.72 KRAS (0.47) LOXL2DTYMKCHRM2CHRM4CHRM1

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-20040235867-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2004-11-25 — — US disclosed
WO-2003009852-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-06 — — 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-20040235867-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 POLB 2548/4885LOXL2 485/4885DTYMK 267/4885

“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.

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