SCHEMBL9891745

SCHEMBL9891745

CN(c1ccc(N2C(=O)CCC2C(C)(C)C)cc1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
CNR2 P34972 2/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
GRIA2 P42262 1/20 0.32
PGR P06401 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
ADRB1 P08588 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
SCHEMBL16480400 0.82 LMNA (0.38) LMNATP53HPGDCYP3A4RAB9A
SCHEMBL9891735 0.81 CNR2 (0.48) CNR2GRIA2
SCHEMBL9891744 0.79 SMN1; SMN2 (0.38) CNR2SMN1; SMN2RAB9APTGER3PTGER2
SCHEMBL9893019 0.79 PTGER2 (0.37) LMNATP53HPGDCYP3A4SMN1; SMN2
SCHEMBL9108207 0.78 LMNA (0.40) LMNATP53HPGDCNR2CYP3A4
SCHEMBL9108218 0.78 LMNA (0.40) LMNATP53HPGDCNR2CYP3A4
SCHEMBL9891746 0.76 CNR2 (0.45) CNR2CYP3A4PTGER3PTGER2MEN1
SCHEMBL9891736 0.75 ALDH1A1 (0.41) RAB9APTGER3PTGER2NPC1MEN1
SCHEMBL9891739 0.75 BRD4 (0.39) CNR2PTGER3PTGER2MEN1KMT2A
SCHEMBL9891747 0.73 CNR2 (0.47) CNR2SMN1; SMN2RAB9APTGER3PTGER2

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-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 LMNA 4696/4885TP53 4450/4885HPGD 601/4885

“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.