SCHEMBL6837867

SCHEMBL6837867

COc1ccc(CNC2CCCC(C)C2C)c2cc(C(=O)Nc3ccccc3)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.43
ADRA2B P18089 4/20 0.43
ADRA2C P18825 4/20 0.43
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TACR1 P25103 1/20 0.38
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38

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
SCHEMBL6839492 0.92 TSHR (0.46) ADRA2AADRA2BADRA2CPDE4APDE4B
SCHEMBL6836802 0.91 ADRA2A (0.42) ADRA2AADRA2BADRA2CPDE4APDE4B
SCHEMBL6837576 0.90 TAS1R3 (0.46) ADRA2AADRA2BADRA2CPDE4APDE4B
SCHEMBL6837928 0.90 ADRA2A (0.41) ADRA2AADRA2BADRA2CPDE4APDE4B
SCHEMBL6836436 0.90 HTT (0.45) ADRA2AADRA2BADRA2CTSHRNPSR1
SCHEMBL6837529 0.88 PDE4A (0.48) ADRA2AADRA2BADRA2CPDE4APDE4B
SCHEMBL6839441 0.87 ADRA2A (0.43) ADRA2AADRA2BADRA2CTSHRNPSR1
SCHEMBL6833344 0.86 ALDH1A1 (0.39) ADRA2AADRA2BADRA2CTSHRNPSR1
SCHEMBL6837598 0.86 PDE4A (0.50) ADRA2AADRA2BADRA2CPDE4APDE4B
SCHEMBL6833384 0.86 ADRA2A (0.42) ADRA2AADRA2BADRA2CTSHRNPSR1

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.