SCHEMBL4091857

SCHEMBL4091857

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc[nH]3)no2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.47
GPR119 Q8TDV5 2/20 0.44
HDAC4 P56524 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HSD11B1 P28845 6/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
SMO Q99835 1/20 0.42
USP30 Q70CQ3 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 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
SCHEMBL1969607 0.95 HSD11B1 (0.49) HPGDSHDAC4HDAC6HSD11B1TSHR
SCHEMBL1969604 0.95 HSD11B1 (0.49) HPGDSHDAC4HDAC6HSD11B1TSHR
SCHEMBL5131943 0.83 GRM5 (0.46) TSHRLMNAALDH1A1
SCHEMBL22280276 0.81 LMNA (0.57) GPR119HDAC4HDAC6TSHRSMN1; SMN2
SCHEMBL22280590 0.81 LMNA (0.57) GPR119HDAC4HDAC6TSHRSMN1; SMN2
SCHEMBL22280637 0.80 HDAC4 (0.55) GPR119HDAC4HDAC6HSD11B1FAAH
SCHEMBL22280528 0.80 HDAC4 (0.53) GPR119HDAC4HDAC6HSD11B1FAAH
SCHEMBL1973392 0.79 HPGDS (0.50) HPGDSHSD11B1TSHRSMN1; SMN2NPC1
SCHEMBL1973393 0.79 HPGDS (0.50) HPGDSHSD11B1TSHRSMN1; SMN2NPC1
SCHEMBL4094542 0.79 GRM5 (0.65) HSD11B1TSHRSMN1; SMN2LMNANPC1

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-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 US disclosed
EP-1912979-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-04-23 EP disclosed
WO-2006123257-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1, 2 , 4]0XADIAZ0L-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO 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-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors GRM5, GRIK5, GRM2 HPGDS 2038/4885GPR119 129/4885HDAC4 3634/4885

“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.