SCHEMBL7229130

SCHEMBL7229130

BrCCCc1cnc2ccccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.48
FDPS P14324 1/20 0.48
GPR84 Q9NQS5 1/20 0.45
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
HDAC1 Q13547 1/20 0.41
FLT3 P36888 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
MIF P14174 1/20 0.38
NAMPT P43490 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL7222910 0.90 GGPS1 (0.50) GGPS1FDPSGPR84DRD4DRD3
SCHEMBL7228805 0.83 GGPS1 (0.51) GGPS1FDPSGPR84DRD4DRD3
SCHEMBL24086874 0.81 TLR7 (0.50) GGPS1FDPSGPR84DRD4DRD3
SCHEMBL8245596 0.80 TLR7 (0.51) GGPS1FDPSGPR84DRD4DRD3
SCHEMBL12801878 0.79 GGPS1 (0.50) GGPS1FDPSGPR84DRD4DRD3
SCHEMBL3796430 0.79 GGPS1 (0.50) GGPS1FDPSGPR84DRD4DRD3
SCHEMBL10666089 0.79 GGPS1 (0.50) GGPS1FDPSGPR84DRD4DRD3
SCHEMBL3924701 0.79 GGPS1 (0.54) GGPS1FDPSGPR84DRD4DRD3
SCHEMBL29030813 0.75 GGPS1 (0.47) GGPS1FDPSGPR84DRD4DRD3
SCHEMBL2017760 0.75 GGPS1 (0.53) GGPS1FDPSGPR84DRD4DRD3

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-6514969-B2 Alzheimer's diseas, Parkinson disease, Huntington disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-02-04 US disclosed
US-20020042420-A1 Beta-amyloid inhibitors, processes for preparing them, and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-11 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-20020042420-A1 Beta-amyloid inhibitors, processes for preparing them, and their use in pharmaceutical compositions HTT, APP, BACE1 GGPS1 3181/4885FDPS 3914/4885GPR84 4163/4885

“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.