SCHEMBL485172

SCHEMBL485172

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(S(=O)(=O)c5ccc(F)cc5F)CC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
USP5 P45974 1/20 0.37
SPTLC2 O15270 1/20 0.37
NAMPT P43490 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
PDE10A Q9Y233 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1I2 O75469 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
RORB Q92753 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HSD11B1 P28845 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
SCHEMBL484970 0.96 ALDH1A1 (0.40) CACNA1BALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484382 0.89 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484737 0.87 HSD11B1 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484790 0.86 CYP2D6 (0.40) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484534 0.86 ATM (0.40) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL2816161 0.85 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484743 0.85 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484741 0.84 CYP2D6 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484483 0.84 CACNA1B (0.41) CACNA1BALDH1A1NAMPTPOLBHTT
SCHEMBL484286 0.83 CYP2D6 (0.41) 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 10 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
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 CACNA1B 2102/4885ALDH1A1 2086/4885TAS1R3 339/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CACNA1B 2102/4885ALDH1A1 2086/4885TAS1R3 339/4885

“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.