SCHEMBL484687

SCHEMBL484687

Cn1ccc2c(S(=O)(=O)N3CCC4(CCN(C(=O)c5ccc6c(c5)C(NC(=O)c5ccccc5Cl)CC6)CC4)CC3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 7/20 0.38
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 3/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA5 P22460 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
DDR1 Q08345 1/20 0.34

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
SCHEMBL484485 0.86 POLB (0.42) ALDH1A1TSHRMEN1GAAKMT2A
SCHEMBL484970 0.84 ALDH1A1 (0.40) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL485150 0.84 ATM (0.41) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL484591 0.83 ALDH1A1 (0.43) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL484749 0.81 ALDH1A1 (0.41) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL484356 0.80 ALDH1A1 (0.48) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL484534 0.80 ATM (0.40) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL485172 0.80 CACNA1B (0.41) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL484965 0.79 ALDH1A1 (0.44) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL2815468 0.79 ALDH1A1 (0.47) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1

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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 SPTLC2 3707/4885TAS1R3 339/4885TAS1R1 107/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN SPTLC2 3707/4885TAS1R3 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.