SCHEMBL6944133

SCHEMBL6944133

COc1ccc(CN[C@@H](C)c2ccccc2)c2cc(C(=O)NCCCc3ccccc3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL6833325 0.95 NPC1 (0.47) ADRA2AADRA2BADRA2CLMNASMN1; SMN2
SCHEMBL6833326 0.95 NPC1 (0.47) ADRA2AADRA2BADRA2CLMNASMN1; SMN2
SCHEMBL6837936 0.90 SMN1; SMN2 (0.49) ADRA2AADRA2BADRA2CLMNASMN1; SMN2
SCHEMBL6837907 0.87 SLC6A5 (0.48) ADRA2AADRA2BADRA2CSMN1; SMN2NPC1
SCHEMBL6837894 0.86 NPC1 (0.50) ADRA2AADRA2BADRA2CLMNASMN1; SMN2
SCHEMBL6833204 0.86 SLC6A5 (0.52) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6837621 0.86 LMNA (0.49) ADRA2AADRA2BADRA2CLMNASMN1; SMN2
SCHEMBL6837619 0.86 LMNA (0.49) ADRA2AADRA2BADRA2CLMNASMN1; SMN2
SCHEMBL6836455 0.86 EPHX2 (0.45) EPHX2LMNASMN1; SMN2RAB9AKMT2A
SCHEMBL6836453 0.86 EPHX2 (0.45) EPHX2LMNASMN1; SMN2RAB9AKMT2A

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 EPHX2 373/4885ADRA2A 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.