SCHEMBL22900012

SCHEMBL22900012

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.35
RORC P51449 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LIPE Q05469 1/20 0.32
CNR2 P34972 2/20 0.32
FAAH O00519 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL15492372 0.81 ALDH1A1 (0.52) GRIN2BRORCALDH1A1CNR2
SCHEMBL12398796 0.79 ALDH1A1 (0.35) RORCALDH1A1CNR2FAAHMEN1
SCHEMBL11890358 0.79 CNR1 (0.40) RORCALDH1A1CNR2FAAHMEN1
SCHEMBL22900016 0.79 ALDH1A1 (0.39) GRIN2BRORCALDH1A1FAAHMEN1
SCHEMBL13195583 0.77 GRIN2B (0.39) GRIN2BALDH1A1CNR2
SCHEMBL22900010 0.77 ALDH1A1 (0.38) RORCALDH1A1CNR2FAAHMEN1
SCHEMBL22900034 0.76 ALDH1A1 (0.41) GRIN2BRORCALDH1A1FAAHMEN1
SCHEMBL14970391 0.76 SMN1; SMN2 (0.50) GRIN2BCNR2MEN1CYP1A2CYP3A4
SCHEMBL22900011 0.76 ALDH1A1 (0.37) RORCALDH1A1FAAHMEN1CYP1A2
SCHEMBL22900051 0.76 ALDH1A1 (0.37) RORCALDH1A1CNR2FAAHMEN1

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-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 GRIN2B 1/4885RORC 307/4885ALDH1A1 2278/4885
US-20210017168-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A GRIN2B 1/4885RORC 343/4885ALDH1A1 2437/4885

“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.