SCHEMBL3140714

SCHEMBL3140714

Cc1oncc1C(=O)N1CCCC(c2nc(Oc3ccccc3)no2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 12/20 0.57
▸ NPC1 O15118 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3140708 1.00 HSD11B1 (0.57) HSD11B1NPC1TSHRRAB9AALDH1A1
SCHEMBL3137821 0.90 L3MBTL1 (0.54) HSD11B1NPC1TSHRRAB9AALDH1A1
SCHEMBL3137836 0.90 L3MBTL1 (0.54) HSD11B1NPC1TSHRRAB9AALDH1A1
SCHEMBL4647105 0.89 HSD11B1 (0.72) HSD11B1NPC1TSHRRAB9AALDH1A1
SCHEMBL4647096 0.89 HSD11B1 (0.72) HSD11B1NPC1TSHRRAB9AALDH1A1
SCHEMBL4645676 0.84 NPC1 (0.69) HSD11B1NPC1TSHRMEN1CYP3A4
SCHEMBL4645685 0.84 NPC1 (0.69) HSD11B1NPC1TSHRMEN1CYP3A4
SCHEMBL4646180 0.84 HSD11B1 (0.60) HSD11B1NPC1TSHRRAB9AALDH1A1
SCHEMBL4646170 0.84 HSD11B1 (0.60) HSD11B1NPC1TSHRRAB9AALDH1A1
SCHEMBL4152452 0.84 HSD11B1 (0.77) HSD11B1

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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 — — US claimed
EP-1896464-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-12 — — EP claimed
WO-2006129199-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-12-07 — — WO claimed
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 — — US disclosed
EP-1896464-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-12 — — EP disclosed
WO-2006129199-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-12-07 — — 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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM1, GRIK5 HSD11B1 3344/4885NPC1 4020/4885TSHR 320/4885

“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.

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