Sugi Predict

Sugi Predict / Compounds / SCHEMBL1972241

SCHEMBL1972241

SCHEMBL1972241

Cc1c[nH]c(-c2noc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ TSHR P16473 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HPGDS O60760 1/20 0.44
▸ GRM5 P41594 3/20 0.44
▸ HDAC4 P56524 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CLPP Q16740 1/20 0.43
▸ HTT P42858 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL1972243 1.00 HSD11B1 (0.45) HSD11B1ALDH1A1TSHRSMN1; SMN2RAB9A
SCHEMBL1971426 0.85 JAK2 (0.45) HSD11B1ALDH1A1TSHRSMN1; SMN2RAB9A
SCHEMBL1971429 0.85 JAK2 (0.45) HSD11B1ALDH1A1TSHRSMN1; SMN2RAB9A
SCHEMBL1971967 0.84 GRM5 (0.47) HSD11B1ALDH1A1TSHRSMN1; SMN2RAB9A
SCHEMBL1971965 0.84 GRM5 (0.47) HSD11B1ALDH1A1TSHRSMN1; SMN2RAB9A
SCHEMBL192613 0.81 ALDH1A1 (0.64) HSD11B1ALDH1A1TSHRSMN1; SMN2RAB9A
SCHEMBL22280436 0.81 ALDH1A1 (0.64) HSD11B1ALDH1A1TSHRSMN1; SMN2RAB9A
SCHEMBL5769537 0.81 ALDH1A1 (0.64) HSD11B1ALDH1A1TSHRSMN1; SMN2RAB9A
SCHEMBL1974358 0.81 GRM5 (0.48) ALDH1A1TSHRSMN1; SMN2RAB9ATP53
SCHEMBL1974274 0.81 HSD11B1 (0.47) HSD11B1RAB9ANPC1HPGDSGRM5

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
EP-1912979-B1 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 PHARMACEUTICALS SA (CH) 2011-06-22 — — EP disclosed
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 HSD11B1 3461/4885ALDH1A1 4261/4885TSHR 311/4885

“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.