SCHEMBL22065129

SCHEMBL22065129

Cc1cc2ccc3c(c2cn1)OCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL5 P05113 1/20 0.46
CYP2A6 P11509 2/20 0.37
CYP1A2 P05177 1/20 0.37
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
EGFR P00533 1/20 0.32
PDGFRA P16234 1/20 0.32
KDR P35968 1/20 0.32
PARP1 P09874 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17051661 0.73 CYP1A2 (0.56) IL5CYP2A6CYP1A2CCR1CCR5
SCHEMBL19296273 0.73 OGA (0.31)
SCHEMBL22065919 0.72 CLK1 (0.37) PARP1ACHEDAO
SCHEMBL23592132 0.71 STAT3 (0.43) IL5CYP2A6CYP1A2CCR1CCR5
SCHEMBL22026782 0.70 IL5 (0.57) IL5CYP2A6CYP1A2PARP1CCR1
SCHEMBL31121809 0.70 IL5 (0.57) IL5CYP2A6CYP1A2PARP1CCR1
SCHEMBL8274136 0.69 IMPDH2 (0.39) CYP1A2PARP1ACHE
SCHEMBL22026763 0.68 IL5 (0.42) IL5NPC1ACHE
SCHEMBL29767811 0.68 IL5 (0.42) IL5NPC1ACHE
SCHEMBL8276161 0.68 CYP2A6 (0.34) CYP2A6PARP1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200179370-A1 TREATMENT OF EPILEPSY TECHNICAL UNIVERSITY OF DENMARK (DK) 2020-06-11 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-20200179370-A1 TREATMENT OF EPILEPSY GABARAPL2, HDAC2, GABRB2 IL5 3493/4885CYP2A6 177/4885CYP1A2 41/4885

“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.