Sugi Predict

Sugi Predict / Compounds / SCHEMBL484408

SCHEMBL484408

SCHEMBL484408

O=C(Nc1ccc(F)cc1F)N1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC3)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ CYP3A4 P08684 7/20 0.38
▸ TSHR P16473 4/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP1A2 P05177 4/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ C5AR1 P21730 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ USP2 O75604 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ POLB P06746 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
SCHEMBL484533 0.90 EPHX2 (0.42) EPHX2NAMPTCYP3A4TSHRMAPK1
SCHEMBL484380 0.89 HSD11B1 (0.40) EPHX2NAMPTCYP3A4TSHRMAPK1
SCHEMBL2816354 0.88 KDM4E (0.41) EPHX2CYP3A4TSHRCYP1A2CYP2C19
SCHEMBL484803 0.88 EPHX2 (0.43) EPHX2NAMPTCYP3A4TSHRMAPK1
SCHEMBL484661 0.88 EPHX2 (0.39) EPHX2NAMPTCYP3A4TSHRMAPK1
SCHEMBL485749 0.87 HSD11B1 (0.43) EPHX2CYP3A4TSHRMAPK1CYP1A2
SCHEMBL484397 0.86 CYP2D6 (0.39) CYP3A4TSHRMAPK1CYP1A2CYP2C19
SCHEMBL484483 0.86 CACNA1B (0.41) NAMPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL485288 0.85 CYP2D6 (0.40) CYP3A4TSHRMAPK1CYP1A2CYP2C19
SCHEMBL2816549 0.84 CYP2D6 (0.39) CYP3A4TSHRMAPK1CYP1A2CYP2C19

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 10 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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 — — EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — 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 (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 EPHX2 905/4885NAMPT 2232/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN EPHX2 905/4885NAMPT 2232/4885CYP3A4 3781/4885

“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.