SCHEMBL485400

SCHEMBL485400

COC(=O)c1ccc2c(c1)[C@H](N(C)S(=O)(=O)c1ccccc1Cl)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
WDR5 P61964 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
F2 P00734 1/20 0.37
ACHE P22303 2/20 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
SCHEMBL484549 0.89 HTR2A (0.47) HTR2AHTR2CSMN1; SMN2ALDH1A1TAS1R3
SCHEMBL485928 0.89 HTR2A (0.47) HTR2AHTR2CSMN1; SMN2ALDH1A1TAS1R3
SCHEMBL13131593 0.81 HPGD (0.46) TSHRALDH1A1TAS1R3TAS1R1KMT2A
SCHEMBL803190 0.81 HPGD (0.46) TSHRALDH1A1TAS1R3TAS1R1KMT2A
SCHEMBL2819090 0.80 TAS1R3 (0.39) CYP1A2TSHRCYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2820965 0.79 TAS1R3 (0.44) CYP1A2TSHRCYP2C19SMN1; SMN2ALDH1A1
SCHEMBL803565 0.79 TAS1R3 (0.44) CYP1A2TSHRCYP2C19SMN1; SMN2ALDH1A1
SCHEMBL803219 0.79 WDR5 (0.41) TSHRTAS1R3TAS1R1WDR5PKM
SCHEMBL803189 0.79 TRPM8 (0.43) TSHRALDH1A1L3MBTL1TAS1R3TAS1R1
SCHEMBL803540 0.79 WDR5 (0.41) TSHRTAS1R3TAS1R1WDR5PKM

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 12 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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
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-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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
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 1903/4885CYP1A2 3400/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HTR2A 1059/4885HTR2C 1903/4885CYP1A2 3400/4885

“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.