SCHEMBL6837828

SCHEMBL6837828

COc1ccc(CNCCN2CCOCC2)c2cc(C(=O)NC3CCCCC3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
ADRA2A P08913 3/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
CNR2 P34972 4/20 0.47
KMT2A Q03164 3/20 0.47
CNR1 P21554 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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 0.90 ADRA2A (0.54) RXFP1ADRA2AADRA2BADRA2CCNR2
SCHEMBL6833357 0.89 ADRA2A (0.55) RXFP1ADRA2AADRA2BADRA2CCNR2
SCHEMBL6837805 0.88 ADRA2A (0.55) RXFP1ADRA2AADRA2BADRA2CKMT2A
SCHEMBL6833206 0.86 CNR2 (0.47) RXFP1ADRA2AADRA2BADRA2CCNR2
SCHEMBL6837310 0.85 ADRA2A (0.47) RXFP1ADRA2AADRA2BADRA2CCNR2
SCHEMBL6837544 0.85 ADRA2A (0.47) RXFP1ADRA2AADRA2BADRA2CCNR2
SCHEMBL6837962 0.85 KMT2A (0.48) ADRA2AADRA2BADRA2CCNR2KMT2A
SCHEMBL6838038 0.84 CNR2 (0.49) RXFP1ADRA2AADRA2BADRA2CCNR2
SCHEMBL6838039 0.84 ADRA2A (0.56) ADRA2AADRA2BADRA2CKCNH2MCHR1
SCHEMBL6838002 0.84 ADRA2A (0.56) ADRA2AADRA2BADRA2CKCNH2MCHR1

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 RXFP1 1019/4885ADRA2A 1965/4885ADRA2B 1631/4885

“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.