SCHEMBL9891983

SCHEMBL9891983

CC1(C)CC(=O)C=C(NC(=O)[C@@H]2C[C@@H](O)CN2CC2CCOCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.54
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CNR1 P21554 2/20 0.38
CYP11B2 P19099 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 4/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 3/20 0.34
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.33
PRKCB P05771 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9893064 0.84 CNR2 (0.54) CNR2TSHRHSD17B10ALDH1A1TP53
SCHEMBL9891981 0.71 CNR2 (0.47) CNR2ALDH1A1CNR1LMNAKDM4E
SCHEMBL9891998 0.71 CNR2 (0.47) CNR2ALDH1A1CNR1LMNAKDM4E
SCHEMBL9892000 0.71 CNR2 (0.69) CNR2ALDH1A1CNR1LMNAMEN1
SCHEMBL9891985 0.71 CNR2 (0.69) CNR2ALDH1A1CNR1LMNAMEN1
SCHEMBL2576705 0.71 CNR2 (0.74) CNR2CNR1SMN1; SMN2
SCHEMBL9892135 0.70 CNR2 (1.00) CNR2CNR1
SCHEMBL9892042 0.70 CNR2 (1.00) CNR2CNR1
SCHEMBL9891993 0.70 CNR2 (0.73) CNR2CNR1PRKCB
SCHEMBL9891988 0.69 CNR2 (0.54) CNR2ALDH1A1CNR1HSD11B1

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US 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 CNR2 1/4885TSHR 1003/4885HSD17B10 3541/4885

“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.