SCHEMBL3565533

SCHEMBL3565533

C=Cc1ccc(OCCCCOc2ccccc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 1/20 0.55
TDP1 Q9NUW8 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 5/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 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
SCHEMBL19998971 0.83 CHRNA7 (0.50) TDP1L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL12301164 0.81 DRD2 (0.75) DRD2DRD4DRD3TDP1L3MBTL1
SCHEMBL3562858 0.81 KCNA3 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1260922 0.81 CHRNA7 (0.61) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11402487 0.79 SMN1; SMN2 (0.58) TDP1L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL8754087 0.79 CHRNB2 (0.59) DRD3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1140632 0.79 CHRNB2 (0.59) DRD3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9808080 0.79 ALDH1A1 (0.62) DRD2DRD4DRD3TDP1L3MBTL1
SCHEMBL12114958 0.78 CHRNB2 (0.56) DRD2DRD4DRD3L3MBTL1CHRNB2
SCHEMBL12301163 0.78 DRD2 (0.75) DRD2DRD4DRD3TDP1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP 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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 DRD2 941/4885DRD4 1766/4885DRD3 977/4885

“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.