SCHEMBL22900016

SCHEMBL22900016

CC(C)(C)CC(=O)N1CC(C)(O)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
FAAH O00519 1/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.32
RORC P51449 1/20 0.31
ALOX15 P16050 1/20 0.31
GRIN2B Q13224 1/20 0.31
POLB P06746 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
SCHEMBL22900034 0.85 ALDH1A1 (0.41) ALDH1A1FAAHCYP3A4MEN1CYP1A2
SCHEMBL22900045 0.85 RORC (0.38) ALDH1A1FAAHCYP3A4MEN1CYP1A2
SCHEMBL22900010 0.82 ALDH1A1 (0.38) ALDH1A1FAAHCYP3A4MEN1CYP1A2
SCHEMBL22900011 0.80 ALDH1A1 (0.37) ALDH1A1FAAHCYP3A4MEN1CYP1A2
SCHEMBL11890358 0.79 CNR1 (0.40) ALDH1A1FAAHCYP3A4MEN1CYP1A2
SCHEMBL22900017 0.79 ALDH1A1 (0.35) ALDH1A1FAAHCYP3A4MEN1CYP1A2
SCHEMBL12398796 0.79 ALDH1A1 (0.35) ALDH1A1FAAHCYP3A4MEN1CYP1A2
SCHEMBL22900031 0.79 ALDH1A1 (0.36) ALDH1A1FAAHCYP3A4MEN1CYP1A2
SCHEMBL22900012 0.79 GRIN2B (0.35) ALDH1A1FAAHCYP3A4MEN1CYP1A2
SCHEMBL15471534 0.77 ALDH1A1 (0.35) ALDH1A1FAAHCYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-20210017168-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-21 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 (2 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-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR GRIN2B, GRIN2A, GRIN3A ALDH1A1 2278/4885FAAH 1723/4885CYP3A4 1725/4885
US-20210017168-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2437/4885FAAH 1654/4885CYP3A4 1927/4885

“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.