SCHEMBL4125488

SCHEMBL4125488

[CH2]OC(C)(c1ccccc1)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.40
OPRD1 P41143 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
ADRB1 P08588 3/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4125494 0.85 CYP2B6 (0.41) CYP2B6OPRD1SIGMAR1ADRB1HTR3E
SCHEMBL2431449 0.77 CYP2B6 (0.43) CYP2B6OPRD1SIGMAR1ADRB1HTR3E
SCHEMBL9202300 0.77 CHRM2 (0.46) CYP2B6OPRD1SIGMAR1ADRB1HTR3E
SCHEMBL2697321 0.77 CYP2B6 (0.66) CYP2B6OPRD1SIGMAR1ADRB1HTR3E
SCHEMBL5139721 0.74 OPRD1 (0.49) CYP2B6OPRD1SIGMAR1ADRB1HTR3E
SCHEMBL9530943 0.73 SIGMAR1 (0.46) CYP2B6OPRD1SIGMAR1ADRB1HTR3E
Hydrochloric Acid SCHEMBL11447338 0.72 CHRM2 (0.43) CYP2B6OPRD1SIGMAR1ADRB1HTR3E
SCHEMBL569963 0.72 SIGMAR1 (0.48) CYP2B6OPRD1SIGMAR1ADRB1HTR3E
SCHEMBL9090858 0.71 SIGMAR1 (0.47) CYP2B6OPRD1SIGMAR1ADRB1HTR3E
SCHEMBL8411629 0.71 SIGMAR1 (0.47) CYP2B6OPRD1SIGMAR1ADRB1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US claimed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP claimed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO claimed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US disclosed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 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-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 CYP2B6 88/4885OPRD1 356/4885SIGMAR1 647/4885

“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.