SCHEMBL484540

SCHEMBL484540

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCCc5ccc(F)cc5)CC4)CC3)cc21)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.41
DRD2 P14416 4/20 0.41
HTR2A P28223 4/20 0.41
KCNH2 Q12809 3/20 0.41
CRHR1 P34998 4/20 0.39
CYP3A4 P08684 2/20 0.39
CRHR2 Q13324 1/20 0.39
DRD4 P21917 1/20 0.38
HRH2 P25021 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
USP2 O75604 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL484853 0.96 DRD2 (0.41) HTR1ADRD2HTR2AKCNH2CRHR1
SCHEMBL484752 0.93 CYP3A4 (0.44) HTR1ADRD2HTR2AKCNH2CRHR1
SCHEMBL484362 0.90 USP2 (0.46) HTR1ADRD2HTR2AKCNH2CRHR1
SCHEMBL484935 0.89 CYP3A4 (0.40) HTR1ADRD2HTR2AKCNH2CRHR1
SCHEMBL2816014 0.87 DRD2 (0.43) HTR1ADRD2HTR2AKCNH2CYP3A4
SCHEMBL2816409 0.86 CYP3A4 (0.43) CRHR1CYP3A4CRHR2USP2SMN1; SMN2
SCHEMBL2818766 0.86 USP2 (0.44) CYP3A4USP2SMN1; SMN2CYP2D6KMT2A
SCHEMBL2816296 0.86 CYP3A4 (0.43) HTR1ACRHR1CYP3A4CRHR2USP2
SCHEMBL2816529 0.86 CYP3A4 (0.43) CRHR1CYP3A4CRHR2USP2SMN1; SMN2
SCHEMBL485032 0.86 USP2 (0.42) HTR1ADRD2HTR2AKCNH2CRHR1

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