SCHEMBL6836715

SCHEMBL6836715

COc1ccc(CN2CCN(C)CC2)c2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)oc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.54
ADRA2B P18089 4/20 0.54
ADRA2C P18825 4/20 0.54
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
KDR P35968 1/20 0.45
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
FGFR1 P11362 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
DHODH Q02127 1/20 0.43
INSR P06213 1/20 0.42
ALK Q9UM73 1/20 0.42
ABL1 P00519 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.41

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
SCHEMBL6839052 0.93 ADRA2A (0.53) ADRA2AADRA2BADRA2CMAPTKDM4E
SCHEMBL6838117 0.90 ADRA2A (0.52) ADRA2AADRA2BADRA2CMAPTKDM4E
SCHEMBL6836438 0.89 F10 (0.55) ADRA2AADRA2BADRA2CMAPTKDM4E
SCHEMBL6837898 0.89 ADRA2A (0.53) ADRA2AADRA2BADRA2CMAPTKDM4E
SCHEMBL6838032 0.83 RXFP1 (0.49) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL6837879 0.83 ADRA2A (0.52) ADRA2AADRA2BADRA2CKDM4ERAB9A
SCHEMBL6837782 0.82 ADRA2A (0.51) ADRA2AADRA2BADRA2CMAPTKDM4E
SCHEMBL6837816 0.81 LMNA (0.59) ADRA2AADRA2BADRA2CMAPTKDM4E
SCHEMBL6837970 0.81 ADRA2A (0.52) ADRA2AADRA2BADRA2CMAPTKDM4E
SCHEMBL6837901 0.81 ADRA2A (0.51) ADRA2AADRA2BADRA2CMAPTKDM4E

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.