SCHEMBL9893121

SCHEMBL9893121

CC(=O)NC1=CC(=O)CC(C)(C)C1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.57
LMNA P02545 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
APEX1 P27695 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL9891905 0.81 GAA (0.53) GAALMNAKDM4EHPGDSMN1; SMN2
SCHEMBL25439947 0.77 HPGD (0.74) GAALMNAKDM4EHPGDSMN1; SMN2
SCHEMBL486405 0.76 LMNA (0.59) GAALMNAKDM4EHPGDSMN1; SMN2
SCHEMBL20016244 0.76 HPGD (0.60) GAALMNAKDM4EHPGDSMN1; SMN2
SCHEMBL24880296 0.74 LMNA (0.61) GAALMNAKDM4EHPGDSMN1; SMN2
SCHEMBL12869168 0.73 LMNA (0.83) GAALMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL25439916 0.73 GAA (0.79) GAALMNAKDM4EHPGDSMN1; SMN2
SCHEMBL486694 0.72 LMNA (0.74) GAALMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL486154 0.72 NPSR1 (0.56) GAALMNAKDM4EHPGDALDH1A1
SCHEMBL13284544 0.72 LMNA (0.54) GAALMNAKDM4EHPGDALDH1A1

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-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 GAA 4474/4885LMNA 4696/4885KDM4E 2527/4885

“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.