Sugi Predict

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SCHEMBL4859525

SCHEMBL4859525

O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2cn(Cc3cccc(F)c3)c3ccccc23)C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.63
▸ LMNA P02545 8/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ HTT P42858 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HRH2 P25021 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ HTR6 P50406 1/20 0.39

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
SCHEMBL4858756 0.89 SLC2A1 (0.49) SLC2A1LMNAALDH1A1HTTNPSR1
SCHEMBL5202509 0.88 SLC2A1 (0.49) SLC2A1LMNAALDH1A1HTTTDP1
SCHEMBL5202357 0.79 SLC2A1 (0.55) SLC2A1LMNAALDH1A1HTTTDP1
SCHEMBL4859827 0.78 SLC2A1 (0.61) SLC2A1LMNAALDH1A1HTTTDP1
SCHEMBL5202930 0.78 SLC2A1 (0.59) SLC2A1LMNAALDH1A1HTTTDP1
SCHEMBL5206324 0.76 SLC2A1 (0.50) SLC2A1LMNAALDH1A1HTTTDP1
SCHEMBL5441447 0.76 SLC2A1 (0.49) SLC2A1LMNAALDH1A1HTTTDP1
SCHEMBL5201638 0.75 SLC2A1 (0.49) SLC2A1LMNAALDH1A1HTTTDP1
SCHEMBL5201634 0.75 SLC2A1 (0.47) SLC2A1LMNAALDH1A1HTTTDP1
SCHEMBL14181452 0.75 SLC2A1 (0.57) SLC2A1LMNAALDH1A1HTTTDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 — — EP claimed
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 — — US disclosed
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 — — US disclosed
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 — — US disclosed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 — — EP disclosed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 — — EP disclosed
EP-1654253-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2006-05-10 — — EP disclosed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 — — US disclosed
WO-2005019208-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2005-03-03 — — 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-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives OPRD1, OPRK1, TPH1 SLC2A1 3979/4885LMNA 3265/4885ALDH1A1 755/4885

“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.