SCHEMBL6837544

SCHEMBL6837544

CCCNCc1ccc(OC)c2oc(C(=O)NC3CCCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
CNR2 P34972 3/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
ADORA2B P29275 1/20 0.43
NPC1 O15118 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NR1I2 O75469 1/20 0.41
HPGD P15428 1/20 0.41
AHR P35869 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 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
SCHEMBL6833206 0.99 CNR2 (0.47) ADRA2AADRA2BADRA2CCNR2KMT2A
SCHEMBL6833219 0.98 ADRA2A (0.47) ADRA2AADRA2BADRA2CCNR2KMT2A
SCHEMBL6837605 0.94 CNR2 (0.47) ADRA2AADRA2BADRA2CCNR2KMT2A
SCHEMBL6838038 0.93 CNR2 (0.49) ADRA2AADRA2BADRA2CCNR2KMT2A
SCHEMBL6836637 0.93 ADRA2A (0.47) ADRA2AADRA2BADRA2CCNR2KMT2A
SCHEMBL6837675 0.92 ADRA2A (0.46) ADRA2AADRA2BADRA2CCNR2KMT2A
SCHEMBL6837310 0.92 ADRA2A (0.47) ADRA2AADRA2BADRA2CCNR2KMT2A
SCHEMBL6837918 0.91 ADRA2A (0.47) ADRA2AADRA2BADRA2CCNR2KMT2A
SCHEMBL6837852 0.89 ADRA2A (0.49) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL6837726 0.89 ADRA2A (0.49) ADRA2AADRA2BADRA2CCNR2KMT2A

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.