SCHEMBL484953

SCHEMBL484953

O=C(O)c1ccc2c(c1)[C@H](N(CC(F)(F)F)C(=O)c1ccccc1Cl)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.39
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
DRD3 P35462 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
TBXA2R P21731 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
P2RX3 P56373 2/20 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
SCHEMBL2822146 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TRPM8LPAR1
SCHEMBL484428 0.89 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TRPM8SLC6A9
SCHEMBL484427 0.89 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TRPM8SLC6A9
SCHEMBL785167 0.87 TP53 (0.43) SLC6A2SLC6A4SLC6A3TRPM8SLC6A9
SCHEMBL785978 0.87 TP53 (0.43) SLC6A2SLC6A4SLC6A3TRPM8SLC6A9
SCHEMBL785381 0.84 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3TRPM8DRD3
SCHEMBL785382 0.84 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3TRPM8DRD3
SCHEMBL2818796 0.82 TRPM8 (0.41) SLC6A2SLC6A4SLC6A3TRPM8DRD3
SCHEMBL484622 0.81 HPGD (0.49) TRPM8DRD3TAS1R3TAS1R1HPGD
SCHEMBL785069 0.81 HPGD (0.49) TRPM8DRD3TAS1R3TAS1R1HPGD

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 SLC6A2 3182/4885SLC6A4 3132/4885SLC6A3 2363/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN SLC6A2 3182/4885SLC6A4 3132/4885SLC6A3 2363/4885

“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.