SCHEMBL6833357

SCHEMBL6833357

COc1ccc(CN2CCOCC2)c2cc(C(=O)NC3CCCC3)oc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.55
ADRA2B P18089 4/20 0.55
ADRA2C P18825 4/20 0.55
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.48
ACHE P22303 1/20 0.48
MEN1 O00255 1/20 0.47
MCHR1 Q99705 4/20 0.46
KCNH2 Q12809 3/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL6839399 0.99 ADRA2A (0.54) ADRA2AADRA2BADRA2CKDM4EKMT2A
SCHEMBL6837805 0.98 ADRA2A (0.55) ADRA2AADRA2BADRA2CKDM4EKMT2A
SCHEMBL6837904 0.92 ADRA2A (0.56) ADRA2AADRA2BADRA2CACHEMCHR1
SCHEMBL6838002 0.92 ADRA2A (0.56) ADRA2AADRA2BADRA2CACHEMCHR1
SCHEMBL6838039 0.92 ADRA2A (0.56) ADRA2AADRA2BADRA2CACHEMCHR1
SCHEMBL6837908 0.90 ADRA2A (0.56) ADRA2AADRA2BADRA2CACHEMCHR1
SCHEMBL6837737 0.90 ADRA2A (0.56) ADRA2AADRA2BADRA2CACHEMCHR1
SCHEMBL6837828 0.89 RXFP1 (0.51) ADRA2AADRA2BADRA2CKDM4EKMT2A
SCHEMBL6837726 0.86 ADRA2A (0.49) ADRA2AADRA2BADRA2CKDM4EKMT2A
SCHEMBL6837962 0.85 KMT2A (0.48) ADRA2AADRA2BADRA2CKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 ADRA2A 1965/4885ADRA2B 1631/4885ADRA2C 1669/4885

“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.