SCHEMBL484853

SCHEMBL484853

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCCc5ccc(F)cc5)CC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.41
HTR1A P08908 4/20 0.41
HTR2A P28223 4/20 0.41
KCNH2 Q12809 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
CRHR1 P34998 7/20 0.38
CRHR2 Q13324 1/20 0.38
DRD4 P21917 1/20 0.37
HRH2 P25021 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
CYP3A4 P08684 2/20 0.35
RORC P51449 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 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
SCHEMBL484540 0.96 HTR1A (0.41) DRD2HTR1AHTR2AKCNH2CRHR1
SCHEMBL484935 0.93 CYP3A4 (0.40) DRD2HTR1AHTR2AKCNH2MRGPRX4
SCHEMBL485032 0.90 USP2 (0.42) DRD2HTR1AHTR2AKCNH2MRGPRX4
SCHEMBL484752 0.89 CYP3A4 (0.44) DRD2HTR1AHTR2AKCNH2CRHR1
SCHEMBL484772 0.87 DRD2 (0.42) DRD2HTR1AHTR2AKCNH2DRD4
SCHEMBL484351 0.87 DRD2 (0.41) DRD2HTR1AHTR2AKCNH2HTR7
SCHEMBL484593 0.87 MRGPRX4 (0.40) MRGPRX4CYP3A4CYP2D6TSHR
SCHEMBL484764 0.86 CRHR1 (0.40) MRGPRX4CRHR1CRHR2CYP3A4CYP2D6
SCHEMBL484520 0.86 CRHR1 (0.40) MRGPRX4CRHR1CRHR2CYP3A4KMT2A
SCHEMBL484362 0.86 USP2 (0.46) DRD2HTR1AHTR2AKCNH2CRHR1

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 8 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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.