Sugi Predict

Sugi Predict / Compounds / SCHEMBL4100600

SCHEMBL4100600

SCHEMBL4100600

N#Cc1c[nH]c(-c2nc([C@H]3CCCN(C(=O)c4ccc(F)nc4)C3)no2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.40
▸ CYP11B2 P19099 3/20 0.40
▸ PDE2A O00408 2/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ CLPP Q16740 1/20 0.40
▸ PDE3A Q14432 1/20 0.38
▸ EGLN1 Q9GZT9 7/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ FASN P49327 1/20 0.36

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
SCHEMBL4100606 1.00 CYP11B1 (0.40) CYP11B1CYP11B2PDE2ASCN9AHSD11B1
SCHEMBL4090649 0.90 GRM5 (0.50) PDE2AHSD11B1GRM5CLPPPDE3A
SCHEMBL4090653 0.90 GRM5 (0.50) PDE2AHSD11B1GRM5CLPPPDE3A
SCHEMBL4092422 0.89 PROKR1 (0.41) CYP11B1CYP11B2PDE2AHSD11B1GRM5
SCHEMBL4092434 0.89 PROKR1 (0.41) CYP11B1CYP11B2PDE2AHSD11B1GRM5
SCHEMBL1970038 0.89 GRM5 (0.44) PDE2ASCN9AHSD11B1GRM5CLPP
SCHEMBL1974636 0.89 GRM5 (0.44) PDE2ASCN9AHSD11B1GRM5CLPP
SCHEMBL1971050 0.88 HSD11B1 (0.45) PDE2ASCN9AHSD11B1GRM5CLPP
SCHEMBL1972321 0.88 HSD11B1 (0.43) PDE2ASCN9AHSD11B1GRM5CLPP
SCHEMBL1971534 0.88 HSD11B1 (0.45) SCN9AHSD11B1GRM5CLPPRAB9A

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 6 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 claimed
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 — — US 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
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 CYP11B1 1834/4885CYP11B2 1780/4885PDE2A 1038/4885

“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.