SCHEMBL484549

SCHEMBL484549

CN(C1CCc2ccc(C(=O)O)cc21)S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
KMT2A Q03164 7/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 6/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
ALDH1A1 P00352 2/20 0.37
DRD3 P35462 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TBXA2R P21731 1/20 0.37
POLB P06746 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 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
SCHEMBL485928 1.00 HTR2A (0.47) HTR2AHTR2CKMT2ASMN1; SMN2MEN1
SCHEMBL485400 0.89 HTR2A (0.45) HTR2AHTR2CKMT2ASMN1; SMN2MEN1
SCHEMBL484622 0.80 HPGD (0.49) TRPM8ALDH1A1DRD3POLBTAS1R3
SCHEMBL785069 0.80 HPGD (0.49) TRPM8ALDH1A1DRD3POLBTAS1R3
SCHEMBL2816510 0.78 MEN1 (0.40) KMT2AMEN1TRPM8ALDH1A1DRD3
SCHEMBL785967 0.77 TRPM8 (0.47) TRPM8ALDH1A1DRD3POLBTAS1R3
SCHEMBL785968 0.77 TRPM8 (0.47) TRPM8ALDH1A1DRD3POLBTAS1R3
SCHEMBL785729 0.77 HPGD (0.41) TRPM8POLB
SCHEMBL484239 0.76 BDKRB1 (0.47) HTR2AHTR2CSMN1; SMN2ALDH1A1
SCHEMBL13131171 0.76 ACHE (0.57) TRPM8ALDH1A1DRD3

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 5 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 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 HTR2A 1059/4885HTR2C 1903/4885KMT2A 2136/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HTR2A 1059/4885HTR2C 1903/4885KMT2A 2136/4885

“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.