SCHEMBL9891990

SCHEMBL9891990

O=C(Nc1nc2c(s1)CCCC2)[C@@H]1C[C@@H](O)CN1CC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.52
GCK P35557 3/20 0.46
LMNA P02545 8/20 0.43
APOBEC3A P31941 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 3/20 0.41
USP2 O75604 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 2/20 0.41
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL9892003 1.00 CNR2 (0.52) CNR2GCKLMNAAPOBEC3AAPOBEC3G
SCHEMBL13285010 0.77 CNR2 (0.59) CNR2GCK
SCHEMBL9891999 0.75 CNR2 (0.62) CNR2ALDH1A1SMN1; SMN2MAPK1TSHR
SCHEMBL9891984 0.75 CNR2 (0.62) CNR2ALDH1A1SMN1; SMN2MAPK1TSHR
SCHEMBL9891987 0.75 CNR2 (0.52) CNR2GCKRAB9A
SCHEMBL9893021 0.75 CNR2 (0.52) CNR2GCKRAB9A
SCHEMBL9891980 0.75 CNR2 (0.56) CNR2
SCHEMBL9891997 0.75 CNR2 (0.56) CNR2
SCHEMBL9891985 0.74 CNR2 (0.69) CNR2GCKLMNAALDH1A1SMN1; SMN2
SCHEMBL9892000 0.74 CNR2 (0.69) CNR2GCKLMNAALDH1A1SMN1; SMN2

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 4 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
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 1/4885GCK 3603/4885LMNA 4696/4885

“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.