Sugi Predict

Sugi Predict / Compounds / SCHEMBL485927

SCHEMBL485927

SCHEMBL485927

O=C(NCc1ccc(Cl)c(Cl)c1)N1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC3)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.40
▸ ENPP2 Q13822 2/20 0.39
▸ ATXN2 Q99700 2/20 0.39
▸ EPHX2 P34913 3/20 0.39
▸ ERN1 O75460 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ OPRK1 P41145 2/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL484822 0.94 ENPP2 (0.41) HRH3ENPP2ATXN2EPHX2KMT2A
SCHEMBL484802 0.88 CYP2C19 (0.35) ENPP2ATXN2EPHX2KMT2AMEN1
SCHEMBL484661 0.86 EPHX2 (0.39) EPHX2HSD11B1
SCHEMBL486049 0.84 HSD11B1 (0.39) HRH3EPHX2HSD11B1
SCHEMBL484642 0.84 EPHX2 (0.39) EPHX2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2818607 0.84 NAMPT (0.42) HSD11B1
SCHEMBL484533 0.83 EPHX2 (0.42) EPHX2SMN1; SMN2
SCHEMBL2816354 0.82 KDM4E (0.41) EPHX2
SCHEMBL485556 0.82 HSD11B1 (0.34) EPHX2KMT2AHSD11B1
SCHEMBL484434 0.82 CYP2D6 (0.39) RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US claimed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 — — EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — WO claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HRH3 93/4885ENPP2 914/4885ATXN2 3604/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HRH3 93/4885ENPP2 914/4885ATXN2 3604/4885

“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.