SCHEMBL4478726

SCHEMBL4478726

COc1cc2c(c(C)c1C)N(CCCNC(=O)c1ccccc1)CC1(CCC1)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.42
DRD3 P35462 6/20 0.42
DRD4 P21917 4/20 0.42
SLC29A1 Q99808 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD1 P21728 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
RXFP1 Q9HBX9 1/20 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
SCHEMBL4473102 0.88 LMNA (0.39) DRD2DRD3DRD4NAMPTDRD1
SCHEMBL17444268 0.66 OPRM1 (0.56) LMNA
SCHEMBL14721849 0.64 DRD3 (0.79) DRD2DRD3DRD4DRD1
SCHEMBL14761584 0.62 DRD2 (0.94) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL9427702 0.62 ALDH1A1 (0.57) L3MBTL1KMT2ALMNAMEN1
SCHEMBL16227646 0.62 ALDH1A1 (0.69) DRD2DRD3DRD4KMT2ALMNA
SCHEMBL20248864 0.61 DRD2 (0.60) DRD2DRD3DRD4NAMPTDRD1
SCHEMBL4707395 0.61 LMNA (0.75) L3MBTL1NAMPTKMT2ALMNAMEN1
SCHEMBL1384427 0.61 ALDH1A1 (0.72) DRD2DRD4L3MBTL1NAMPTKMT2A
SCHEMBL10720845 0.61 ALDH1A1 (0.76) DRD2DRD3DRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 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-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 DRD2 3489/4885DRD3 3598/4885DRD4 3442/4885

“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.