SCHEMBL6837594

SCHEMBL6837594

COc1cccc2cc(C(=O)NCCN3CCOCC3)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 1.00
DRD3 P35462 6/20 0.66
DRD2 P14416 5/20 0.66
DRD4 P21917 1/20 0.61
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 2/20 0.58
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58
ADORA1 P30542 1/20 0.58
KMT2A Q03164 2/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 1/20 0.57
MMP13 P45452 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL6837827 0.81 RXFP1 (0.68) RXFP1KDM4EHSD17B10KMT2ACYP2C9
SCHEMBL6836700 0.80 RXFP1 (0.67) RXFP1KDM4EHSD17B10KMT2ACYP2C9
SCHEMBL6399889 0.80 CCR3 (0.65) RXFP1DRD3DRD2DRD4HDAC1
SCHEMBL29233597 0.79 CYP1A2 (0.70) RXFP1DRD3KDM4EHSD17B10KMT2A
SCHEMBL6837571 0.78 KMT2A (0.76) RXFP1DRD3DRD2HDAC1HDAC2
SCHEMBL6839390 0.78 RXFP1 (0.63) RXFP1KDM4EHSD17B10KMT2ALMNA
SCHEMBL29530276 0.78 LMNA (0.73) RXFP1DRD2DRD4KDM4EHSD17B10
SCHEMBL6839495 0.76 HDAC1 (0.69) RXFP1DRD3DRD2DRD4HDAC1
SCHEMBL5584871 0.76 KMT2A (0.72) RXFP1HDAC1HDAC2KDM4EHSD17B10
SCHEMBL6837896 0.75 KMT2A (0.63) RXFP1HDAC1HDAC2KMT2ALMNA

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 1019/4885DRD3 334/4885DRD2 746/4885

“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.