SCHEMBL9895928

SCHEMBL9895928

C[C@H]1C[C@H](N(C(=O)O)C(C)(C)C)CC[C@H]1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.39
KLK7 P49862 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
HCRTR2 O43614 1/20 0.37
TRPM8 Q7Z2W7 2/20 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
SCHEMBL9895927 1.00 TACR1 (0.39) TACR1KLK7JAK2JAK1HCRTR2
SCHEMBL2594354 0.77 AGTR2 (0.40) JAK2JAK1TRPM8
SCHEMBL22729197 0.77 BCHE (0.39) TACR1KLK7HCRTR2
SCHEMBL1426284 0.77 OPRM1 (0.42) TACR1KLK7TRPM8
SCHEMBL9896801 0.76 AGTR2 (0.38) HCRTR2
SCHEMBL9896800 0.76 AGTR2 (0.38) HCRTR2
SCHEMBL17506913 0.74 ALDH1A1 (0.56)
SCHEMBL3081890 0.74 LIPG (0.43) TRPM8
SCHEMBL2995001 0.74 PDE4D (0.40) HCRTR2
SCHEMBL2988770 0.74 PDE4D (0.40) HCRTR2

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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A TACR1 3270/4885KLK7 3853/4885JAK2 1471/4885

“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.