SCHEMBL13728633

SCHEMBL13728633

Cc1cccc(-c2ccc(C(C)C)nc2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.51
CCR1 P32246 1/20 0.48
CCR8 P51685 1/20 0.48
GRM5 P41594 1/20 0.41
METAP2 P50579 1/20 0.40
IRAK4 Q9NWZ3 3/20 0.39
BRS3 P32247 1/20 0.39
TGFBR1 P36897 9/20 0.39
MAPK14 Q16539 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
SCHEMBL29457486 0.82 CYP2A6 (0.44) CYP2A6CCR1CCR8GRM5IRAK4
SCHEMBL13659740 0.82 ASIC3 (0.49) IRAK4BRS3TGFBR1
SCHEMBL13728687 0.82 MAPT (0.45) CYP2A6TGFBR1
SCHEMBL30146674 0.80 CYP2A6 (0.65) CYP2A6CCR1CCR8GRM5METAP2
SCHEMBL3421947 0.80 CYP2A6 (0.65) CYP2A6CCR1CCR8GRM5METAP2
SCHEMBL29310630 0.80 BTK (0.42) TGFBR1
SCHEMBL13728929 0.78 IDH1 (0.46) TGFBR1
SCHEMBL13729151 0.78 CTSS (0.46) IRAK4BRS3TGFBR1
SCHEMBL13051887 0.77 CCR1 (0.59) CYP2A6CCR1CCR8GRM5METAP2
SCHEMBL24673834 0.76 CYP2A6 (0.54) CYP2A6CCR1CCR8GRM5METAP2

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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R CYP2A6 1366/4885CCR1 271/4885CCR8 648/4885

“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.