SCHEMBL2820060

SCHEMBL2820060

N#Cc1cc(S(=O)(=O)N2CCC3(CCN(C(=O)c4ccc5c(c4)C(N(C(=O)c4ccccc4Cl)C4CC4)CC5)C3)CC2)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.37
AR P10275 7/20 0.36
SCN9A Q15858 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
FFAR2 O15552 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F10 P00742 1/20 0.33
MAPT P10636 1/20 0.33
TRPV4 Q9HBA0 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
SCHEMBL485953 0.89 ATM (0.39) CACNA1BARTRPV4
SCHEMBL484483 0.85 CACNA1B (0.41) CACNA1BPSEN1PSEN2APH1BNCSTN
SCHEMBL484514 0.83 MAPK14 (0.38) CACNA1BF10MAPT
SCHEMBL484723 0.82 AR (0.38) ARALDH1A1
SCHEMBL2817766 0.82 MAPT (0.36) CACNA1BMAPT
SCHEMBL486049 0.81 HSD11B1 (0.39)
SCHEMBL484380 0.81 HSD11B1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL485173 0.81 ALDH1A1 (0.44) ARSCN9AALDH1A1F10MAPT
SCHEMBL2818607 0.81 NAMPT (0.42)
SCHEMBL484872 0.80 CYP2D6 (0.39) ALDH1A1

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-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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 CACNA1B 2102/4885AR 219/4885SCN9A 412/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CACNA1B 2102/4885AR 219/4885SCN9A 412/4885

“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.