SCHEMBL484948

SCHEMBL484948

Cc1cccc(Cl)c1C(=O)NC1CCc2ccc(C(=O)N3CCC4(CCN(CCCc5ccc(F)cc5)CC4)C3)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.41
HTR2A P28223 6/20 0.41
HTR1A P08908 5/20 0.41
KCNH2 Q12809 5/20 0.41
CYP2D6 P10635 5/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL484786 0.94 CYP2D6 (0.39) DRD2HTR2AHTR1AKCNH2CYP2D6
SCHEMBL484617 0.93 DRD2 (0.42) DRD2HTR2AHTR1AKCNH2CYP2D6
SCHEMBL485054 0.90 KCNH2 (0.42) DRD2HTR2AHTR1AKCNH2CYP2D6
SCHEMBL484772 0.89 DRD2 (0.42) DRD2HTR2AHTR1AKCNH2CYP2D6
SCHEMBL485023 0.87 CYP2D6 (0.42) DRD2HTR2AHTR1AKCNH2CYP2D6
SCHEMBL2819251 0.86 CYP2D6 (0.40) CYP2D6CYP1A2CYP3A4HPGDMAPK1
SCHEMBL484502 0.85 ACHE (0.42) CYP2D6CYP1A2CYP3A4HPGDKDM4E
SCHEMBL484351 0.85 DRD2 (0.41) DRD2HTR2AHTR1AKCNH2MEN1
SCHEMBL2816014 0.85 DRD2 (0.43) DRD2HTR2AHTR1AKCNH2CYP2D6
SCHEMBL484765 0.85 CYP2D6 (0.43) CYP2D6CYP1A2CYP3A4MAPK1USP2

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

“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.