SCHEMBL9893071

SCHEMBL9893071

CC(=O)Nc1cc(CC(C)(C)C)no1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.56
ALDH1A1 P00352 3/20 0.42
CA2 P00918 4/20 0.41
CA7 P43166 3/20 0.41
CA1 P00915 2/20 0.40
CA4 P22748 2/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.38
CNR2 P34972 3/20 0.36
EGFR P00533 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9891519 0.86 MAPK14 (0.55) MAPK14ALDH1A1SMN1; SMN2LMNACNR2
SCHEMBL9892904 0.84 MAPK14 (0.54) MAPK14ALDH1A1CTSDBACE1SMN1; SMN2
SCHEMBL9891916 0.84 MAPK14 (0.57) MAPK14ALDH1A1SMN1; SMN2LMNACNR2
SCHEMBL10806751 0.81 CA2 (0.44) MAPK14ALDH1A1CA2CA7CA1
SCHEMBL25817567 0.79 CA2 (0.40) MAPK14ALDH1A1CA2CA7CA1
SCHEMBL9893070 0.79 MAPK14 (0.47) MAPK14ALDH1A1CA2CA7CA1
SCHEMBL9892845 0.78 MAPK14 (0.48) MAPK14ALDH1A1CNR2
SCHEMBL11966198 0.77 MAPK14 (0.53) MAPK14ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7588423 0.76 ALDH1A1 (0.40) MAPK14ALDH1A1CA2CA7CA1
SCHEMBL1619870 0.76 CNR2 (0.55) MAPK14ALDH1A1CNR2

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
CN-116438179-A Pyrazole derivatives as RET kinase inhibitors 伊莱利利公司 2023-07-14 CN disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MAPK14 1949/4885ALDH1A1 3279/4885CA2 2996/4885

“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.