SCHEMBL484970

SCHEMBL484970

O=C(NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(S(=O)(=O)c3ccc(F)cc3F)CC4)cc21)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HSD11B1 P28845 1/20 0.38
USP5 P45974 1/20 0.38
SPTLC2 O15270 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 2/20 0.37
PDE10A Q9Y233 1/20 0.36
PKLR P30613 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1I2 O75469 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
RORB Q92753 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
SCHEMBL485172 0.96 CACNA1B (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2HSD11B1
SCHEMBL484743 0.89 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2HSD11B1
SCHEMBL484640 0.87 HSD11B1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2HSD11B1
SCHEMBL484789 0.86 CYP3A4 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL484382 0.86 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2HSD11B1
SCHEMBL485150 0.85 ATM (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484943 0.85 CYP2D6 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2HSD11B1
SCHEMBL2816807 0.85 CYP3A4 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2HSD11B1
SCHEMBL484591 0.84 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL485310 0.84 CYP2D6 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2

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 2086/4885TAS1R3 339/4885TAS1R1 107/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885TAS1R3 339/4885TAS1R1 107/4885

“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.