SCHEMBL6833276

SCHEMBL6833276

COc1ccc(CN2CCCCC2)c2cc(C(=O)N3CCOCC3)oc12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.59
ADRA2B P18089 4/20 0.59
ADRA2C P18825 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
GLA P06280 1/20 0.44
MEN1 O00255 3/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6839158 0.96 ADRA2A (0.59) ADRA2AADRA2BADRA2CL3MBTL1KMT2A
SCHEMBL6837808 0.95 ADRA2A (0.60) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL6836666 0.95 ADRA2A (0.57) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL6836451 0.94 ADRA2A (0.63) ADRA2AADRA2BADRA2CL3MBTL1KMT2A
SCHEMBL6838163 0.94 ADRA2A (0.63) ADRA2AADRA2BADRA2CL3MBTL1KMT2A
SCHEMBL6837596 0.86 ADRA2A (0.51) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL6836425 0.85 ADRA2A (0.50) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL6833377 0.84 ADRA2A (0.55) ADRA2AADRA2BADRA2CL3MBTL1ALDH1A1
SCHEMBL6837770 0.84 ADRA2A (0.49) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL18384675 0.83 KMT2A (0.54) L3MBTL1KMT2AALDH1A1KDM4EHTT

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.