SCHEMBL2816014

SCHEMBL2816014

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCCc5ccc(F)cc5)CC4)CC3)cc21)c1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.43
HTR1A P08908 5/20 0.43
HTR2A P28223 4/20 0.43
KCNH2 Q12809 3/20 0.43
CYP2D6 P10635 5/20 0.40
MAPK1 P28482 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CYP3A4 P08684 3/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD4 P21917 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 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
SCHEMBL484772 0.96 DRD2 (0.42) DRD2HTR1AHTR2AKCNH2CYP2D6
SCHEMBL484680 0.94 CYP2D6 (0.44) DRD2HTR1AHTR2AKCNH2CYP2D6
SCHEMBL485017 0.90 CYP2D6 (0.40) DRD2HTR1AHTR2AKCNH2CYP2D6
SCHEMBL484541 0.89 TAS1R3 (0.44) DRD2HTR1AHTR2AKCNH2CYP2D6
SCHEMBL484540 0.87 HTR1A (0.41) DRD2HTR1AHTR2AKCNH2CYP2D6
SCHEMBL484617 0.86 DRD2 (0.42) DRD2HTR1AHTR2AKCNH2CYP2D6
SCHEMBL484887 0.86 CYP2D6 (0.44) KCNH2CYP2D6MAPK1TAS1R3TAS1R1
SCHEMBL484948 0.85 DRD2 (0.41) DRD2HTR1AHTR2AKCNH2CYP2D6
SCHEMBL484646 0.85 TAS1R3 (0.43) DRD2HTR1AHTR2AKCNH2CYP2D6
SCHEMBL484806 0.85 ACHE (0.43) KCNH2CYP2D6MAPK1TAS1R3TAS1R1

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 6 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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.