Sugi Predict

Sugi Predict / Compounds / SCHEMBL484483

SCHEMBL484483

SCHEMBL484483

O=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 4/20 0.41
▸ HSD11B1 P28845 1/20 0.34
▸ SPR P35270 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ PKLR P30613 2/20 0.33
▸ CCR1 P32246 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL484380 0.89 HSD11B1 (0.40) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL485749 0.87 HSD11B1 (0.43) HSD11B1ALDH1A1TRPM8MEN1KMT2A
SCHEMBL485953 0.86 ATM (0.39) CACNA1BPKLR
SCHEMBL484408 0.86 EPHX2 (0.39) HTTNAMPTMEN1POLBKMT2A
SCHEMBL484397 0.86 CYP2D6 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL485288 0.85 CYP2D6 (0.40) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2820060 0.85 CACNA1B (0.37) CACNA1BPSEN1PSEN2APH1BNCSTN
SCHEMBL2817766 0.85 MAPT (0.36) CACNA1BHSD11B1LMNASMN1; SMN2
SCHEMBL2816549 0.84 CYP2D6 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL485172 0.84 CACNA1B (0.41) CACNA1BHSD11B1SPRALDH1A1HTT

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 CACNA1B 2102/4885HSD11B1 1789/4885SPR 413/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CACNA1B 2102/4885HSD11B1 1789/4885SPR 413/4885

“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.