SCHEMBL484637

SCHEMBL484637

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CC5CCCCC5)CC4)C3)cc21)c1c(F)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.38
EPHX2 P34913 6/20 0.38
SPR P35270 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
CYP2D6 P10635 7/20 0.38
CYP3A4 P08684 5/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 3/20 0.38
RECQL P46063 1/20 0.36
USP2 O75604 3/20 0.36
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 1/20 0.36
BDKRB1 P46663 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRKAA2 P54646 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
SCHEMBL484330 0.88 CYP2D6 (0.49) RORCEPHX2SPRCYP2D6CYP3A4
SCHEMBL2820289 0.86 NAMPT (0.44) RORCEPHX2SPRTAS1R3TAS1R1
SCHEMBL484689 0.86 CYP2D6 (0.42) EPHX2CYP2D6CYP3A4HPGDCYP1A2
SCHEMBL484652 0.86 CYP2D6 (0.40) RORCEPHX2SPRTAS1R3TAS1R1
SCHEMBL485064 0.86 CYP2D6 (0.41) EPHX2CYP2D6CYP3A4HPGDCYP1A2
SCHEMBL484363 0.84 CYP3A4 (0.53) EPHX2CYP2D6CYP3A4HPGDCYP1A2
SCHEMBL484617 0.84 DRD2 (0.42) EPHX2CYP2D6CYP3A4HPGDCYP1A2
SCHEMBL2817018 0.84 CYP2D6 (0.45) EPHX2TAS1R3TAS1R1TAS1R2CYP2D6
SCHEMBL485023 0.84 CYP2D6 (0.42) CYP2D6CYP3A4HPGDCYP1A2RECQL
SCHEMBL484547 0.84 CYP2D6 (0.45) TAS1R3TAS1R1TAS1R2CYP2D6CYP3A4

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 RORC 1692/4885EPHX2 905/4885SPR 413/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN RORC 1692/4885EPHX2 905/4885SPR 413/4885

“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.