SCHEMBL2818005

SCHEMBL2818005

COc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC4)C3)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
CYP3A4 P08684 4/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
USP2 O75604 4/20 0.40
HIF1A Q16665 1/20 0.40
MCHR1 Q99705 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRHR1 P34998 1/20 0.38
CRHR2 Q13324 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CCR2 P41597 3/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 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
SCHEMBL2818073 0.96 CYP3A4 (0.45) MRGPRX4CYP3A4PDE4APDE4BPDE4C
SCHEMBL484593 0.92 MRGPRX4 (0.40) MRGPRX4CYP3A4USP2HIF1ATSHR
SCHEMBL485626 0.90 SPTLC2 (0.45) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL2817175 0.90 CRHR1 (0.42) MRGPRX4CYP3A4PDE4APDE4BPDE4C
SCHEMBL2816342 0.88 MCHR1 (0.44) MCHR1TAS1R3TAS1R1HDAC1HDAC6
SCHEMBL2818766 0.88 USP2 (0.44) CYP3A4USP2HIF1ATSHRSMN1; SMN2
SCHEMBL484361 0.87 MRGPRX4 (0.40) MRGPRX4CYP3A4USP2HIF1ATSHR
SCHEMBL484764 0.86 CRHR1 (0.40) MRGPRX4CYP3A4USP2HIF1ATSHR
SCHEMBL484910 0.86 USP2 (0.52) MRGPRX4CYP3A4USP2TSHRSMN1; SMN2
SCHEMBL484919 0.86 CYP3A4 (0.40) MRGPRX4CYP3A4USP2TSHRCRHR1

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 MRGPRX4 24/4885CYP3A4 3781/4885PDE4A 1509/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MRGPRX4 24/4885CYP3A4 3781/4885PDE4A 1509/4885

“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.