SCHEMBL484351

SCHEMBL484351

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCCc5ccc(F)cc5)CC4)C3)cc21)c1cc(Cl)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.41
HTR1A P08908 5/20 0.41
HTR2A P28223 4/20 0.41
KCNH2 Q12809 3/20 0.41
KMT2A Q03164 2/20 0.38
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
GPR183 P32249 5/20 0.37
MEN1 O00255 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM1A O60341 2/20 0.35
HDAC6 Q9UBN7 2/20 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
SCHEMBL485228 0.92 CYP2D6 (0.40) DRD2HTR1AHTR2AKCNH2KMT2A
SCHEMBL484772 0.89 DRD2 (0.42) DRD2HTR1AHTR2AKCNH2DRD3
SCHEMBL484617 0.88 DRD2 (0.42) DRD2HTR1AHTR2AKCNH2
SCHEMBL484853 0.87 DRD2 (0.41) DRD2HTR1AHTR2AKCNH2KMT2A
SCHEMBL2819125 0.87 ACKR3 (0.40) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL2816489 0.86 CYP2D6 (0.37) KCNH2KMT2AGPR183MEN1
SCHEMBL2815768 0.85 KCNH2 (0.46) DRD2HTR1AHTR2AKCNH2KMT2A
SCHEMBL484948 0.85 DRD2 (0.41) DRD2HTR1AHTR2AKCNH2KMT2A
SCHEMBL2816014 0.84 DRD2 (0.43) DRD2HTR1AHTR2AKCNH2KMT2A
SCHEMBL484372 0.84 CYP3A4 (0.49) KMT2AMEN1

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 DRD2 520/4885HTR1A 610/4885HTR2A 1059/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN DRD2 520/4885HTR1A 610/4885HTR2A 1059/4885

“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.