SCHEMBL485173

SCHEMBL485173

N#Cc1cc(S(=O)(=O)N2CCC3(CCN(C(=O)c4ccc5c(c4)C(NC(=O)c4ccccc4Cl)CC5)CC3)CC2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.39
SPTLC2 O15270 1/20 0.37
SCN9A Q15858 1/20 0.37
TSHR P16473 3/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 1/20 0.36
GNRHR P30968 1/20 0.35

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
SCHEMBL485150 0.88 ATM (0.41) ALDH1A1HTTPOLBSPTLC2TAS1R3
SCHEMBL484534 0.84 ATM (0.40) ALDH1A1HTTPOLBSPTLC2TAS1R3
SCHEMBL484970 0.84 ALDH1A1 (0.40) ALDH1A1HTTPOLBSPTLC2TAS1R3
SCHEMBL484596 0.83 ALDH1A1 (0.45) ALDH1A1SPTLC2TSHRTAS1R3TAS1R1
SCHEMBL484485 0.82 POLB (0.42) ALDH1A1HTTPOLBTSHRMEN1
SCHEMBL484591 0.81 ALDH1A1 (0.43) ALDH1A1HTTPOLBSPTLC2TAS1R3
SCHEMBL485059 0.81 TAS1R3 (0.43) ALDH1A1SPTLC2TSHRTAS1R3TAS1R1
SCHEMBL2820060 0.81 CACNA1B (0.37) ALDH1A1MAPTSCN9AARF10
SCHEMBL484749 0.81 ALDH1A1 (0.41) ALDH1A1HTTPOLBMAPTSPTLC2
SCHEMBL484743 0.80 ALDH1A1 (0.43) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2

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 ALDH1A1 2086/4885HTT 3621/4885POLB 4589/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885HTT 3621/4885POLB 4589/4885

“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.