SCHEMBL5248237

SCHEMBL5248237

CC(=O)c1ccc(CN2CCOC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.49
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 5/20 0.44
LTA4H P09960 1/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
NR1I2 O75469 1/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 2/20 0.40
NAAA Q02083 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CMA1 P23946 1/20 0.40
FAAH O00519 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL14687303 0.86 GRM2 (0.50) GRM2KMT2ALTA4HNR1I2KCNH2
SCHEMBL24754382 0.84 GRM2 (0.46) GRM2LTA4HNR1I2KCNH2NAAA
SCHEMBL14687126 0.84 MAPK1 (0.51) GRM2LMNAALDH1A1NPC1MAPT
SCHEMBL16335337 0.81 NPC1 (0.39) GRM2KMT2ANAAAALDH1A1NPC1
SCHEMBL14002387 0.81 SMN1; SMN2 (0.55) GRM2KMT2ALTA4HLMNANAAA
SCHEMBL5315528 0.81 GRM2 (0.53) GRM2LTA4HNR1I2KCNH2NAAA
SCHEMBL259624 0.78 GRM2 (0.53) GRM2LTA4HNR1I2KCNH2LMNA
SCHEMBL16881052 0.78 GRM2 (0.53) GRM2KMT2ALTA4HNR1I2KCNH2
SCHEMBL5216969 0.78 GRM2 (0.53) GRM2LTA4HNR1I2KCNH2NAAA
SCHEMBL531434 0.77 GRM2 (0.52) GRM2KMT2ALTA4HNAAACMA1

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
EP-1778675-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF Cylene Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006015150-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF CYLENE PHARMACEUTICALS (US) 2006-02-09 WO disclosed
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof CYLENE PHARMACEUTICALS 2006-02-02 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-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof PIN1, HPD, DHPS GRM2 3548/4885KMT2A 3149/4885HRH3 1102/4885

“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.